All Chemical Compounds

All Chemical Compounds Information

2012-03-07T08:45:00.001-08:00

Product OPENEYE NAME: ethyl 2-[3-(p-tolyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CAS Name: 2-[[3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(4-methylphenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-(4-methylphenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C23H27NO3S
MOLECULAR WEIGHT: 397.53038
SMILES: CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)C
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Product OPENEYE NAME: N,N'-bis[4-(4-ethylphenyl)thiazol-2-yl]pentanediamide
CAS Name: N,N'-bis[4-(4-ethylphenyl)-2-thiazolyl]pentanediamide
IUPAC NAME: N,N'-bis[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanediamide
SYSTEMATIC NAME: N,N'-bis[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanediamide
MOLECULAR FORMULA: C27H28N4O2S2
MOLECULAR WEIGHT: 504.66682
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CC
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Product OPENEYE NAME: N,N'-bis(6-ethoxy-1,3-benzothiazol-2-yl)butanediamide
CAS Name: N,N'-bis(6-ethoxy-1,3-benzothiazol-2-yl)butanediamide
IUPAC NAME: N,N'-bis(6-ethoxy-1,3-benzothiazol-2-yl)butanediamide
SYSTEMATIC NAME: N,N'-bis(6-ethoxy-1,3-benzothiazol-2-yl)butanediamide
MOLECULAR FORMULA: C22H22N4O4S2
MOLECULAR WEIGHT: 470.56448
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OCC
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Product OPENEYE NAME: (2-phenyl-2H-quinolin-1-yl) benzoate
CAS Name: benzoic acid (2-phenyl-2H-quinolin-1-yl) ester
IUPAC NAME: (2-phenyl-2H-quinolin-1-yl) benzoate
SYSTEMATIC NAME: (2-phenyl-2H-quinolin-1-yl) benzoate
MOLECULAR FORMULA: C22H17NO2
MOLECULAR WEIGHT: 327.37588
SMILES: C1=CC=C(C=C1)C2C=CC3=CC=CC=C3N2OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexanol
CAS Name: 2-methyl-1-(3,4,5-trimethoxyphenyl)-1-cyclohexanol
IUPAC NAME: 2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CC1CCCCC1(C2=CC(=C(C(=C2)OC)OC)OC)O
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Product OPENEYE NAME: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(2-thienylmethyl)quinazolin-4-one
CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(thiophen-2-ylmethyl)-4-quinazolinone
IUPAC NAME: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
SYSTEMATIC NAME: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
MOLECULAR FORMULA: C23H20N2O3S2
MOLECULAR WEIGHT: 436.5465
SMILES: CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CS4
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Product OPENEYE NAME: N-[(3-chlorophenyl)methyl]-4-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]butanamide
CAS Name: N-[(3-chlorophenyl)methyl]-4-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]butanamide
IUPAC NAME: N-[(3-chlorophenyl)methyl]-4-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
SYSTEMATIC NAME: N-[(3-chlorophenyl)methyl]-4-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]butanamide
MOLECULAR FORMULA: C27H31ClN4O3S
MOLECULAR WEIGHT: 527.07804
SMILES: C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 3-allyl-4-oxo-2-phenacylsulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide
CAS Name: 4-oxo-N-(2-oxolanylmethyl)-2-(phenacylthio)-3-prop-2-enyl-7-quinazolinecarboxamide
IUPAC NAME: 4-oxo-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-3-prop-2-enylquinazoline-7-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-3-prop-2-enyl-quinazoline-7-carboxamide
MOLECULAR FORMULA: C25H25N3O4S
MOLECULAR WEIGHT: 463.5487
SMILES: C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1-ethyl-2,4-dioxo-quinazolin-3-yl)-N-(3-methoxypropyl)acetamide
CAS Name: 2-(1-ethyl-2,4-dioxo-3-quinazolinyl)-N-(3-methoxypropyl)acetamide
IUPAC NAME: 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(3-methoxypropyl)acetamide
SYSTEMATIC NAME: 2-[1-ethyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-N-(3-methoxypropyl)ethanamide
MOLECULAR FORMULA: C16H21N3O4
MOLECULAR WEIGHT: 319.35564
SMILES: CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCCCOC
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Product OPENEYE NAME: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-cyclohexanecarboxamide
CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-1-cyclohexanecarboxamide
IUPAC NAME: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SYSTEMATIC NAME: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)cyclohexane-1-carboxamide
MOLECULAR FORMULA: C17H11F11N2OS
MOLECULAR WEIGHT: 500.329475
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F
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Product OPENEYE NAME: N-benzyl-2-[butylcarbamoyl(isopropyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: 2-[[butylamino(oxo)methyl]-propan-2-ylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[butylcarbamoyl(propan-2-yl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[butylcarbamoyl(propan-2-yl)amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C23H33N3O2S
MOLECULAR WEIGHT: 415.59202
SMILES: CCCCNC(=O)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(C)C
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Product OPENEYE NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-bromophenyl)-4-quinolyl]methanone
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-bromophenyl)-4-quinolinyl]methanone
IUPAC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-bromophenyl)quinolin-4-yl]methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-bromophenyl)quinolin-4-yl]methanone
MOLECULAR FORMULA: C28H24BrN3O3
MOLECULAR WEIGHT: 530.41246
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Br
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Product OPENEYE NAME: methyl 4-phenyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CAS Name: 2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-phenyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-phenyl-2-(9H-xanthen-9-ylcarbonylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C26H19NO4S
MOLECULAR WEIGHT: 441.49836
SMILES: COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
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Product OPENEYE NAME: ethyl 5-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylate
CAS Name: 5-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H18ClN3O3S
MOLECULAR WEIGHT: 439.91462
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl
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Product OPENEYE NAME: N,N'-bis[(4-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-butanediamide
CAS Name: N,N'-bis[(4-chlorophenyl)methyl]-2,2,3,3-tetrafluorobutanediamide
IUPAC NAME: N,N'-bis[(4-chlorophenyl)methyl]-2,2,3,3-tetrafluorobutanediamide
SYSTEMATIC NAME: N,N'-bis[(4-chlorophenyl)methyl]-2,2,3,3-tetrakis(fluoranyl)butanediamide
MOLECULAR FORMULA: C18H14Cl2F4N2O2
MOLECULAR WEIGHT: 437.215573
SMILES: C1=CC(=CC=C1CNC(=O)C(C(C(=O)NCC2=CC=C(C=C2)Cl)(F)F)(F)F)Cl
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Product OPENEYE NAME: N-[4-(pentanoylamino)cyclohexyl]pentanamide
CAS Name: N-[4-(1-oxopentylamino)cyclohexyl]pentanamide
IUPAC NAME: N-[4-(pentanoylamino)cyclohexyl]pentanamide
SYSTEMATIC NAME: N-[4-(pentanoylamino)cyclohexyl]pentanamide
MOLECULAR FORMULA: C16H30N2O2
MOLECULAR WEIGHT: 282.4216
SMILES: CCCCC(=O)NC1CCC(CC1)NC(=O)CCCC
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Product OPENEYE NAME: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,2,3,3-tetrafluoro-butanediamide
CAS Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3-tetrafluorobutanediamide
IUPAC NAME: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3-tetrafluorobutanediamide
SYSTEMATIC NAME: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3-tetrakis(fluoranyl)butanediamide
MOLECULAR FORMULA: C24H22F4N4O2S2
MOLECULAR WEIGHT: 538.580693
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C(C(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N)(F)F)(F)F
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Product OPENEYE NAME: N1,N4-bis[(2,3-dichlorophenyl)methyleneamino]terephthalamide
CAS Name: N1,N4-bis[(2,3-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
IUPAC NAME: 1-N,4-N-bis[(2,3-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[[2,3-bis(chloranyl)phenyl]methylideneamino]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C22H14Cl4N4O2
MOLECULAR WEIGHT: 508.18416
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C=NNC(=O)C2=CC=C(C=C2)C(=O)NN=CC3=C(C(=CC=C3)Cl)Cl
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Product OPENEYE NAME: N1,N3-bis(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CAS Name: N1,N3-bis(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
IUPAC NAME: 1-N,3-N-bis(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1,N3-bis[2,6-bis(chloranyl)phenyl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C20H12Cl4N2O2
MOLECULAR WEIGHT: 454.13348
SMILES: C1=CC(=CC(=C1)C(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)NC3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: 3-methoxy-N-[2-[(3-methoxybenzoyl)amino]propyl]benzamide
CAS Name: 3-methoxy-N-[2-[[(3-methoxyphenyl)-oxomethyl]amino]propyl]benzamide
IUPAC NAME: 3-methoxy-N-[2-[(3-methoxybenzoyl)amino]propyl]benzamide
SYSTEMATIC NAME: 3-methoxy-N-[2-[(3-methoxyphenyl)carbonylamino]propyl]benzamide
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CC(CNC(=O)C1=CC(=CC=C1)OC)NC(=O)C2=CC(=CC=C2)OC
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All Chemical Compounds Information

2012-03-07T07:45:00.001-08:00

Product OPENEYE NAME: methyl 4-[[2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CAS Name: 4-[[2-[(3-fluoroanilino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
SYSTEMATIC NAME: methyl 4-[[2-[(3-fluorophenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
MOLECULAR FORMULA: C27H27FN2O5S
MOLECULAR WEIGHT: 510.577083
SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC(=CC=C3)F)COC4=CC=C(C=C4)C(=O)OC)OC
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Product OPENEYE NAME: N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CAS Name: N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-thiophenecarboxamide
IUPAC NAME: N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide
CAS Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propanamide
IUPAC NAME: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
SYSTEMATIC NAME: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide
MOLECULAR FORMULA: C19H20N2O2S2
MOLECULAR WEIGHT: 372.5043
SMILES: CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)C
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Product OPENEYE NAME: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-isoquinoline-1,3-dione
CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-isoquinoline-1,3-dione
IUPAC NAME: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-isoquinoline-1,3-dione
MOLECULAR FORMULA: C19H25NO4
MOLECULAR WEIGHT: 331.4061
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)CC3CCCCC3C2=O)OC
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Product OPENEYE NAME: N,N'-bis(2-methylpropylideneamino)heptanediamide
CAS Name: N,N'-bis(2-methylpropylideneamino)heptanediamide
IUPAC NAME: N,N'-bis(2-methylpropylideneamino)heptanediamide
SYSTEMATIC NAME: N,N'-bis(2-methylpropylideneamino)heptanediamide
MOLECULAR FORMULA: C15H28N4O2
MOLECULAR WEIGHT: 296.40842
SMILES: CC(C)C=NNC(=O)CCCCCC(=O)NN=CC(C)C
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Product OPENEYE NAME: 3-chloro-N-[4-[[4-(3-chloropropanoylamino)cyclohexyl]methyl]cyclohexyl]propanamide
CAS Name: 3-chloro-N-[4-[[4-[(3-chloro-1-oxopropyl)amino]cyclohexyl]methyl]cyclohexyl]propanamide
IUPAC NAME: 3-chloro-N-[4-[[4-(3-chloropropanoylamino)cyclohexyl]methyl]cyclohexyl]propanamide
SYSTEMATIC NAME: 3-chloranyl-N-[4-[[4-(3-chloranylpropanoylamino)cyclohexyl]methyl]cyclohexyl]propanamide
MOLECULAR FORMULA: C19H32Cl2N2O2
MOLECULAR WEIGHT: 391.37558
SMILES: C1CC(CCC1CC2CCC(CC2)NC(=O)CCCl)NC(=O)CCCl
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Product OPENEYE NAME: 2-phenyl-N,N-dipropyl-cyclopropanecarboxamide
CAS Name: 2-phenyl-N,N-dipropyl-1-cyclopropanecarboxamide
IUPAC NAME: 2-phenyl-N,N-dipropylcyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-phenyl-N,N-dipropyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCN(CCC)C(=O)C1CC1C2=CC=CC=C2
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Product OPENEYE NAME: N,N-dibutyl-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CAS Name: N,N-dibutyl-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
IUPAC NAME: N,N-dibutyl-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N,N-dibutyl-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H32N2O3
MOLECULAR WEIGHT: 420.54388
SMILES: CCCCN(CCCC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-phenoxy)-N-(2-pyridyl)propanamide
CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(2-pyridinyl)propanamide
IUPAC NAME: 2-(4-chloro-2-methylphenoxy)-N-pyridin-2-ylpropanamide
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)-N-pyridin-2-yl-propanamide
MOLECULAR FORMULA: C15H15ClN2O2
MOLECULAR WEIGHT: 290.7448
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=CC=N2
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Product OPENEYE NAME: 6-tert-butyl-2-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-2-[[oxo-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-2-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-2-[[1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)cyclohexyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C20H19F11N2O2S
MOLECULAR WEIGHT: 560.424495
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F
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All Chemical Compounds Information

2012-03-07T06:46:00.001-08:00

Product OPENEYE NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazine-1-carbothioamide
CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-1-piperazinecarbothioamide
IUPAC NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: COC1=C(C=C(C=C1)CN2CCN(CC2CCO)C(=S)NC3=CC=CC=C3)OC
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Product OPENEYE NAME: N-(2-ethyl-3-oxo-piperazine-1-carbothioyl)-4-phenyl-benzamide
CAS Name: N-[(2-ethyl-3-oxo-1-piperazinyl)-sulfanylidenemethyl]-4-phenylbenzamide
IUPAC NAME: N-(2-ethyl-3-oxopiperazine-1-carbothioyl)-4-phenylbenzamide
SYSTEMATIC NAME: N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-4-phenyl-benzamide
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 7-(4-methoxyphenyl)-2-oxo-6-(tetralin-5-carbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylate
CAS Name: 7-(4-methoxyphenyl)-2-oxo-6-[oxo(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylate
IUPAC NAME: 7-(4-methoxyphenyl)-2-oxo-6-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylate
SYSTEMATIC NAME: 7-(4-methoxyphenyl)-2-oxidanylidene-6-(5,6,7,8-tetrahydronaphthalen-1-ylcarbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylate
MOLECULAR FORMULA: C25H22NO5S2-
MOLECULAR WEIGHT: 480.57588
SMILES: COC1=CC=C(C=C1)C2C(C(SC3=C2SC(=O)N3)C(=O)[O-])C(=O)C4=C5CCCCC5=CC=C4
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Product OPENEYE NAME: 7-(4-methoxyphenyl)-2-oxo-6-(tetralin-5-carbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylic acid
CAS Name: 7-(4-methoxyphenyl)-2-oxo-6-[oxo(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylic acid
IUPAC NAME: 7-(4-methoxyphenyl)-2-oxo-6-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
SYSTEMATIC NAME: 7-(4-methoxyphenyl)-2-oxidanylidene-6-(5,6,7,8-tetrahydronaphthalen-1-ylcarbonyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
MOLECULAR FORMULA: C25H23NO5S2
MOLECULAR WEIGHT: 481.58382
SMILES: COC1=CC=C(C=C1)C2C(C(SC3=C2SC(=O)N3)C(=O)O)C(=O)C4=C5CCCCC5=CC=C4
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Product OPENEYE NAME: 4-[[4-chloro-1-[(2,4-dichlorophenyl)methyl]-2,5-dioxo-pyrrol-3-yl]amino]benzoate
CAS Name: 4-[[4-chloro-1-[(2,4-dichlorophenyl)methyl]-2,5-dioxo-3-pyrrolyl]amino]benzoate
IUPAC NAME: 4-[[4-chloro-1-[(2,4-dichlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]benzoate
SYSTEMATIC NAME: 4-[[4-chloranyl-1-[(2,4-dichlorophenyl)methyl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate
MOLECULAR FORMULA: C18H10Cl3N2O4-
MOLECULAR WEIGHT: 424.642
SMILES: C1=CC(=CC=C1C(=O)[O-])NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19NOS3
MOLECULAR WEIGHT: 361.54456
SMILES: COC1=CC=C(C=C1)C2C3C4CCC(C4)C3SC5=C2SC(=S)N5
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Product OPENEYE NAME: 1-(4-butylphenyl)-3-(3-ethoxypropyl)thiourea
CAS Name: 1-(4-butylphenyl)-3-(3-ethoxypropyl)thiourea
IUPAC NAME: 1-(4-butylphenyl)-3-(3-ethoxypropyl)thiourea
SYSTEMATIC NAME: 1-(4-butylphenyl)-3-(3-ethoxypropyl)thiourea
MOLECULAR FORMULA: C16H26N2OS
MOLECULAR WEIGHT: 294.45544
SMILES: CCCCC1=CC=C(C=C1)NC(=S)NCCCOCC
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Product OPENEYE NAME: N-(4-ethoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetamide
CAS Name: N-(4-ethoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]acetamide
IUPAC NAME: N-(4-ethoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanamide
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: 3-fluoro-N-[5-[2-(4-hexoxyanilino)-2-oxo-ethyl]-3-methyl-4-oxo-2-thioxo-imidazolidin-1-yl]benzamide
CAS Name: 3-fluoro-N-[5-[2-(4-hexoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]benzamide
IUPAC NAME: 3-fluoro-N-[5-[2-(4-hexoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SYSTEMATIC NAME: 3-fluoranyl-N-[5-[2-[(4-hexoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
MOLECULAR FORMULA: C25H29FN4O4S
MOLECULAR WEIGHT: 500.585563
SMILES: CCCCCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)C
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Product OPENEYE NAME: N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]-4-oxo-2-thioxo-imidazolidin-1-yl]pyridine-3-carboxamide
CAS Name: N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1-imidazolidinyl]-3-pyridinecarboxamide
IUPAC NAME: N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[3-ethyl-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C20H21N5O4S
MOLECULAR WEIGHT: 427.47684
SMILES: CCN1C(=O)C(N(C1=S)NC(=O)C2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
IUPAC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C28H29N3O5S
MOLECULAR WEIGHT: 519.61196
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC(=C(C=C4)OC)OC
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Product OPENEYE NAME: ethyl 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-6-(2-phenylethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate
CAS Name: 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-6-[oxo-(2-phenylethylamino)methyl]-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-6-(2-phenylethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-6-(2-phenylethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate
MOLECULAR FORMULA: C30H31N3O5S
MOLECULAR WEIGHT: 545.64924
SMILES: CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: ethyl 4-[[3-benzyl-6-[(3,5-dichlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CAS Name: 4-[[6-[(3,5-dichloroanilino)-oxomethyl]-4-oxo-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[3-benzyl-6-[(3,5-dichlorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[6-[[3,5-bis(chloranyl)phenyl]carbamoyl]-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
MOLECULAR FORMULA: C27H23Cl2N3O4S
MOLECULAR WEIGHT: 556.46022
SMILES: CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(2-bromophenyl)methyleneamino]-2,2-bis(p-tolyl)cyclopropanecarboxamide
CAS Name: N-[(2-bromophenyl)methylideneamino]-2,2-bis(4-methylphenyl)-1-cyclopropanecarboxamide
IUPAC NAME: N-[(2-bromophenyl)methylideneamino]-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[(2-bromophenyl)methylideneamino]-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C25H23BrN2O
MOLECULAR WEIGHT: 447.36692
SMILES: CC1=CC=C(C=C1)C2(CC2C(=O)NN=CC3=CC=CC=C3Br)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 1-(4-chlorobenzoyl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]azepan-2-one
CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone
IUPAC NAME: 1-(4-chlorobenzoyl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]azepan-2-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)carbonyl-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]azepan-2-one
MOLECULAR FORMULA: C24H21ClN4O2S
MOLECULAR WEIGHT: 464.96714
SMILES: CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)Cl
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All Chemical Compounds Information

2012-03-07T05:45:00.001-08:00

Product OPENEYE NAME: 2-[allyl(benzylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thiophenyl)methyl]-2-[[oxo-[(phenylmethyl)amino]methyl]-prop-2-enylamino]acetamide
IUPAC NAME: 2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]ethanamide
MOLECULAR FORMULA: C26H28FN3O2S
MOLECULAR WEIGHT: 465.582823
SMILES: CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC=C)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-[[allyl-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]carbamoyl]amino]benzoate
CAS Name: 4-[[[[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylcarbamoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-carbamoyl]amino]benzoate
MOLECULAR FORMULA: C28H30FN3O4S
MOLECULAR WEIGHT: 523.618903
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=C(C=CS3)C
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Product OPENEYE NAME: [3-[6-(4-hydroxy-2,6-dimethoxy-phenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid
CAS Name: [3-[6-(4-hydroxy-2,6-dimethoxyphenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid
IUPAC NAME: [3-[6-(4-hydroxy-2,6-dimethoxyphenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid
SYSTEMATIC NAME: [3-[6-(2,6-dimethoxy-4-oxidanyl-phenyl)-9-methyl-1,3,7,10-tetrakis(oxidanylidene)-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid
MOLECULAR FORMULA: C31H28BNO9
MOLECULAR WEIGHT: 569.36632
SMILES: B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5=C(C4C6=C(C=C(C=C6OC)O)OC)C(=O)C=C(C5=O)C)(O)O
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Product OPENEYE NAME: 6-(3-fluoro-2-hydroxy-phenyl)-8-methyl-2-propyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-propyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 6-(3-fluoro-2-hydroxyphenyl)-8-methyl-2-propyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3-fluoranyl-2-oxidanyl-phenyl)-8-methyl-2-propyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C26H24FNO5
MOLECULAR WEIGHT: 449.470863
SMILES: CCCN1C(=O)C2CC=C3C(C2C1=O)CC4=C(C3C5=C(C(=CC=C5)F)O)C(=O)C(=CC4=O)C
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Product OPENEYE NAME: 6-(4-hydroxyphenyl)-8-methyl-2-(4-vinylphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-ethenylphenyl)-6-(4-hydroxyphenyl)-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-ethenylphenyl)-6-(4-hydroxyphenyl)-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 2-(4-ethenylphenyl)-6-(4-hydroxyphenyl)-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C31H25NO5
MOLECULAR WEIGHT: 491.5339
SMILES: CC1=CC(=O)C2=C(C1=O)C(C3=CCC4C(C3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C=C)C6=CC=C(C=C6)O
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Product OPENEYE NAME: 2-(4-chlorophenyl)-6-[5-(hydroxymethyl)-2-furyl]-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-chlorophenyl)-6-[5-(hydroxymethyl)-2-furanyl]-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-chlorophenyl)-6-[5-(hydroxymethyl)furan-2-yl]-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-[5-(hydroxymethyl)furan-2-yl]-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C28H22ClNO6
MOLECULAR WEIGHT: 503.93038
SMILES: CC1=CC(=O)C2=C(C1=O)C(C3=CCC4C(C3C2)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C6=CC=C(O6)CO
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Product OPENEYE NAME: methyl 4-[6-[[4-(5-chloro-1,3-dioxo-isoindolin-2-yl)-3-methyl-phenyl]carbamoyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-4-yl]benzoate
CAS Name: 4-[6-[[4-(5-chloro-1,3-dioxo-2-isoindolyl)-3-methylanilino]-oxomethyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-4-yl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[6-[[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]carbamoyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-4-yl]benzoate
SYSTEMATIC NAME: methyl 4-[6-[[4-[5-chloranyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]carbamoyl]-2-[2-(2-hydroxyethyloxy)ethoxy]-3,4-dihydro-2H-pyran-4-yl]benzoate
MOLECULAR FORMULA: C33H31ClN2O9
MOLECULAR WEIGHT: 635.06024
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC(CC(O2)OCCOCCO)C3=CC=C(C=C3)C(=O)OC)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl
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Product OPENEYE NAME: 4-(benzofuran-3-yl)-N-benzyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonyl-amino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CAS Name: 4-(3-benzofuranyl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
IUPAC NAME: 4-(1-benzofuran-3-yl)-N-benzyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SYSTEMATIC NAME: 4-(1-benzofuran-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonyl-amino]ethoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
MOLECULAR FORMULA: C32H34N2O8S
MOLECULAR WEIGHT: 606.68596
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCOC2CC(C=C(O2)C(=O)NCC3=CC=CC=C3)C4=COC5=CC=CC=C54
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Product OPENEYE NAME: 1-ethyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]urea
CAS Name: 1-ethyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(2-pyrimidinylthio)methyl]-1,3-dioxan-2-yl]phenyl]urea
IUPAC NAME: 1-ethyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]urea
MOLECULAR FORMULA: C25H28N4O4S
MOLECULAR WEIGHT: 480.57922
SMILES: CCNC(=O)NC1=CC=CC(=C1)C2OC(CC(O2)C3=CC=C(C=C3)CO)CSC4=NC=CC=N4
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Product OPENEYE NAME: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CAS Name: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
IUPAC NAME: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C34H28F5N5O4S
MOLECULAR WEIGHT: 697.674236
SMILES: CN1C(=NN=N1)SCC2CC(OC(O2)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)C6=CC=C(C=C6)CO
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Product OPENEYE NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
CAS Name: N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
IUPAC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
SYSTEMATIC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C34H38N2O5S
MOLECULAR WEIGHT: 586.74092
SMILES: CC(C1=CC=CC=C1)N(C)CC2CC(OC(O2)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO
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Product OPENEYE NAME: [2-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-methyl-2-oxo-ethyl] acetate
CAS Name: acetic acid [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C40H50N2O6
MOLECULAR WEIGHT: 654.8348
SMILES: CC(C(=O)NCC1=CC=CC(=C1)C2=CC(=CC=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5CC6(CC5CC(C6)(C)C)C)OC(=O)C
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Product OPENEYE NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxo-pentanoic acid
CAS Name: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
IUPAC NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C40H46N2O7
MOLECULAR WEIGHT: 666.80244
SMILES: CC(C(C1=CC=CC=C1)O)N(C)CC2CC(OC(O2)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)C5=CC=C(C=C5)CO
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Product OPENEYE NAME: benzyl N-[1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
CAS Name: N-[1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,5-dioxo-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
MOLECULAR FORMULA: C44H40N6O7S
MOLECULAR WEIGHT: 796.8894
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NN=NN7C8=CC=CC=C8
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Product OPENEYE NAME: 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]isoindoline-1,3-dione
CAS Name: 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]isoindole-1,3-dione
IUPAC NAME: 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C43H40N4O7
MOLECULAR WEIGHT: 724.8003
SMILES: C1CN(CCN1CC2CC(OC(O2)C3=CC=C(C=C3)C4=CC(=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O)C7=CC=C(C=C7)CO)C8=CC=C(C=C8)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[[3-[4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]carbamoylamino]acetate
CAS Name: 2-[[[3-[4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-oxomethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]carbamoylamino]acetate
SYSTEMATIC NAME: ethyl 2-[[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]carbamoylamino]ethanoate
MOLECULAR FORMULA: C38H37N3O7S
MOLECULAR WEIGHT: 679.78128
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)C2OC(CC(O2)C3=CC=C(C=C3)CO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: 1-benzyl-4-[2-[bis[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]pyridin-1-ium
CAS Name: 4-[2-[bis[2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl]phosphoryl]ethyl]-1-(phenylmethyl)pyridin-1-ium
IUPAC NAME: 1-benzyl-4-[2-[bis[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]pyridin-1-ium
SYSTEMATIC NAME: 4-[2-[bis[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]phosphoryl]ethyl]-1-(phenylmethyl)pyridin-1-ium
MOLECULAR FORMULA: C42H45N3OP+3
MOLECULAR WEIGHT: 638.799961
SMILES: C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CCP(=O)(CCC3=CC=[N+](C=C3)CC4=CC=CC=C4)CCC5=CC=[N+](C=C5)CC6=CC=CC=C6
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Product OPENEYE NAME: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CAS Name: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-[diphenoxyphosphoryl-(4-nitrophenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C22H16F3N4O5PS
MOLECULAR WEIGHT: 536.420211
SMILES: C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)[N+](=O)[O-])NC3=NN=C(S3)C(F)(F)F)OC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H25NO2
MOLECULAR WEIGHT: 371.4715
SMILES: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)NC(CO)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide
CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-1-piperazin-4-iumcarbothioamide
IUPAC NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenylpiperazin-4-ium-1-carbothioamide
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: COC1=C(C=C(C=C1)C[NH+]2CCN(CC2CCO)C(=S)NC3=CC=CC=C3)OC
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All Chemical Compounds Information

2012-03-07T04:46:00.001-08:00

Product OPENEYE NAME: 3-(1-butylimidazol-4-yl)prop-2-enoic acid
CAS Name: 3-(1-butyl-4-imidazolyl)-2-propenoic acid
IUPAC NAME: 3-(1-butylimidazol-4-yl)prop-2-enoic acid
SYSTEMATIC NAME: 3-(1-butylimidazol-4-yl)prop-2-enoic acid
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCCCN1C=C(N=C1)C=CC(=O)O
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Product OPENEYE NAME: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] prop-2-enoate
CAS Name: 2-propenoic acid [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] prop-2-enoate
SYSTEMATIC NAME: [2-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] prop-2-enoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC12CCC3C(C1CCC2C(=O)COC(=O)C=C)CCC4=CC(=O)CCC34C
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Product OPENEYE NAME: N-(2-ethyl-3-oxo-piperazine-1-carbothioyl)-3-iodo-4-methyl-benzamide
CAS Name: N-[(2-ethyl-3-oxo-1-piperazinyl)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide
IUPAC NAME: N-(2-ethyl-3-oxopiperazine-1-carbothioyl)-3-iodo-4-methylbenzamide
SYSTEMATIC NAME: N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-3-iodanyl-4-methyl-benzamide
MOLECULAR FORMULA: C15H18IN3O2S
MOLECULAR WEIGHT: 431.29179
SMILES: CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)C)I
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Product OPENEYE NAME: 1-[[2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenyl-thiourea
CAS Name: 1-[[2-[[2-(butylthio)-6-methyl-4-pyrimidinyl]thio]-1-oxoethyl]amino]-3-phenylthiourea
IUPAC NAME: 1-[[2-(2-butylsulfanyl-6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C18H23N5OS3
MOLECULAR WEIGHT: 421.60312
SMILES: CCCCSC1=NC(=CC(=N1)SCC(=O)NNC(=S)NC2=CC=CC=C2)C
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Product OPENEYE NAME: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate
CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate
SYSTEMATIC NAME: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate
MOLECULAR FORMULA: C24H21N3O8S
MOLECULAR WEIGHT: 511.50384
SMILES: CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]
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Product OPENEYE NAME: bis[2-(4-acetamidoanilino)-2-oxo-ethyl] butanedioate
CAS Name: butanedioic acid bis[2-(4-acetamidoanilino)-2-oxoethyl] ester
IUPAC NAME: bis[2-(4-acetamidoanilino)-2-oxoethyl] butanedioate
SYSTEMATIC NAME: bis[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] butanedioate
MOLECULAR FORMULA: C24H26N4O8
MOLECULAR WEIGHT: 498.48524
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME: ethyl 4-[[3-(3,4-dimethylphenyl)-7-oxo-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxo-butanoate
CAS Name: 4-[[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxobutanoic acid ethyl ester
IUPAC NAME: ethyl 4-[[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxobutanoate
SYSTEMATIC NAME: ethyl 4-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C19H19N3O4S3
MOLECULAR WEIGHT: 449.56686
SMILES: CCOC(=O)CC(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC(=C(C=C3)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H32N4O5
MOLECULAR WEIGHT: 564.63098
SMILES: COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3OC)N4CC5CC(C4)C6=CC=CC(=O)N6C5
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Product OPENEYE NAME: 7-methoxy-4'-methyl-2-(5-methyl-2-furyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CAS Name: 7-methoxy-4'-methyl-2-(5-methyl-2-furanyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
IUPAC NAME: 7-methoxy-4'-methyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SYSTEMATIC NAME: 7-methoxy-4'-methyl-2-(5-methylfuran-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CC1CCC2(CC1)N3C(CC(=N3)C4=CC=C(O4)C)C5=C(O2)C(=CC=C5)OC
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Product OPENEYE NAME: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-ethyl-2-thioxo-thiazolidin-4-one
CAS Name: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-ethyl-2-sulfanylidene-4-thiazolidinone
IUPAC NAME: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C23H20N4O4S2
MOLECULAR WEIGHT: 480.5593
SMILES: CCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCC4=CC5=C(C=C4)OCO5)SC1=S
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Product OPENEYE NAME: 6a-(4-chlorophenyl)-2-ethyl-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxy-phenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-2-ethyl-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-2-ethyl-8-(4-fluoroanilino)-6-(4-hydroxy-2-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-(4-chlorophenyl)-2-ethyl-8-[(4-fluorophenyl)amino]-6-(2-methoxy-4-oxidanyl-phenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C35H31ClFN3O6
MOLECULAR WEIGHT: 644.088543
SMILES: CCN1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)N(C(=O)C4(C3C5=C(C=C(C=C5)O)OC)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
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Product OPENEYE NAME: 6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-ethylphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-[2,3-bis(bromanyl)-5-methoxy-4-oxidanyl-phenyl]-6a-(4-chlorophenyl)-2-(4-ethylphenyl)-8-[(4-fluorophenyl)amino]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C41H33Br2ClFN3O6
MOLECULAR WEIGHT: 877.976623
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=CC(=C(C(=C6Br)Br)O)OC)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
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Product OPENEYE NAME: 2-(3-chloro-4-methyl-phenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxy-1-naphthyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(3-chloro-4-methylphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxy-1-naphthalenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(3-chloro-4-methylphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(4-hydroxynaphthalen-1-yl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-(3-chloranyl-4-methyl-phenyl)-6a-(4-chlorophenyl)-8-[(4-fluorophenyl)amino]-6-(4-oxidanylnaphthalen-1-yl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C43H32Cl2FN3O5
MOLECULAR WEIGHT: 760.635683
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F)Cl
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Product OPENEYE NAME: 6-(5-bromo-2-hydroxy-phenyl)-2-tert-butyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(5-bromanyl-2-oxidanyl-phenyl)-2-tert-butyl-8-[(4-methylphenyl)amino]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C37H36BrN3O5
MOLECULAR WEIGHT: 682.60284
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Br)O)C(=O)N(C5=O)C(C)(C)C
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Product OPENEYE NAME: 2-(4-benzoylphenyl)-6-(2-hydroxy-6-methoxy-phenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-benzoylphenyl)-6-(2-hydroxy-6-methoxyphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-benzoylphenyl)-6-(2-hydroxy-6-methoxyphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(2-methoxy-6-oxidanyl-phenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-[4-(phenylcarbonyl)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C47H39N3O7
MOLECULAR WEIGHT: 757.82846
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C=CC=C7OC)O)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
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Product OPENEYE NAME: 2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CAS Name: 2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: COCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-[allyl(m-tolylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-2-[[(3-methylanilino)-oxomethyl]-prop-2-enylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C26H28FN3O2S
MOLECULAR WEIGHT: 465.582823
SMILES: CC1=CC(=CC=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=C(C=CS3)C
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Product OPENEYE NAME: 2-[allyl(p-tolylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-2-[[(4-methylanilino)-oxomethyl]-prop-2-enylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C26H28FN3O2S
MOLECULAR WEIGHT: 465.582823
SMILES: CC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=C(C=CS3)C
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All Chemical Compounds Information

2012-03-07T03:45:00.001-08:00

Product OPENEYE NAME: 4-(4-fluorophenyl)-6-(1-piperidyl)-2-(4-pyridyl)pyrimidine
CAS Name: 4-(4-fluorophenyl)-6-(1-piperidinyl)-2-pyridin-4-ylpyrimidine
IUPAC NAME: 4-(4-fluorophenyl)-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine
SYSTEMATIC NAME: 4-(4-fluorophenyl)-6-piperidin-1-yl-2-pyridin-4-yl-pyrimidine
MOLECULAR FORMULA: C20H19FN4
MOLECULAR WEIGHT: 334.390063
SMILES: C1CCN(CC1)C2=NC(=NC(=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4
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Product OPENEYE NAME: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide
CAS Name: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide
IUPAC NAME: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide
SYSTEMATIC NAME: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CC(C)(C)NC(=O)N1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-(4-iodophenyl)-3-(4-isobutylphenyl)prop-2-enamide
CAS Name: N-(4-iodophenyl)-3-[4-(2-methylpropyl)phenyl]-2-propenamide
IUPAC NAME: N-(4-iodophenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: N-(4-iodophenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H20INO
MOLECULAR WEIGHT: 405.27267
SMILES: CC(C)CC1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)I
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Product OPENEYE NAME: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
IUPAC NAME: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SYSTEMATIC NAME: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide
MOLECULAR FORMULA: C12H15N5O3S3
MOLECULAR WEIGHT: 373.4742
SMILES: C1=CC(=CC=C1CCNC(=O)CSC2=NN=C(S2)N)S(=O)(=O)N
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Product OPENEYE NAME: 3-(4-fluorophenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CAS Name: 3-(4-fluorophenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
IUPAC NAME: 3-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H20FN3O2S2
MOLECULAR WEIGHT: 405.509403
SMILES: C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SCC3
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Product OPENEYE NAME: N-[[4-(4-ethoxyphenyl)-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide
CAS Name: N-[[4-(4-ethoxyphenyl)-5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
IUPAC NAME: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
SYSTEMATIC NAME: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide
MOLECULAR FORMULA: C35H34N6O4S2
MOLECULAR WEIGHT: 666.81226
SMILES: CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)C)CNC(=O)COC6=CC=CC=C6
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Product OPENEYE NAME: diethyl 5-[[2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[[2-[[5-[[[2-furanyl(oxo)methyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 5-[[2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 5-[2-[[5-[(furan-2-ylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C22H25N5O7S2
MOLECULAR WEIGHT: 535.5932
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CO3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
CAS Name: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
IUPAC NAME: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(4-fluorophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
MOLECULAR FORMULA: C20H21ClFN2O+
MOLECULAR WEIGHT: 359.844943
SMILES: C1CCC2=[N+](CC1)C(CN2C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)F)O
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Product OPENEYE NAME: N-(3,5-dimethylphenyl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Name: N-(3,5-dimethylphenyl)-7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine
IUPAC NAME: N-(3,5-dimethylphenyl)-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C28H26N4O
MOLECULAR WEIGHT: 434.53224
SMILES: CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NC4=CC(=CC(=C4)C)C)C5=CC=CC=C5
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Product OPENEYE NAME: cyclopropyl-[1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CAS Name: cyclopropyl-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
IUPAC NAME: cyclopropyl-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SYSTEMATIC NAME: cyclopropyl-[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
MOLECULAR FORMULA: C25H31NO4
MOLECULAR WEIGHT: 409.51794
SMILES: CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4CC4)OC)OC
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Product OPENEYE NAME: 3-(2-chlorophenyl)-5-methyl-N-[4-(5-phenyltriazol-1-yl)phenyl]isoxazole-4-carboxamide
CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(5-phenyl-1-triazolyl)phenyl]-4-isoxazolecarboxamide
IUPAC NAME: 3-(2-chlorophenyl)-5-methyl-N-[4-(5-phenyltriazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)-5-methyl-N-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C25H18ClN5O2
MOLECULAR WEIGHT: 455.89572
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)N4C(=CN=N4)C5=CC=CC=C5
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Product OPENEYE NAME: [6-(3,4-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(2-thienyl)methanone
CAS Name: [6-(3,4-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-thiophen-2-ylmethanone
IUPAC NAME: [6-(3,4-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [6-(3,4-dimethoxyphenyl)-4-oxidanyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C18H17F3N2O4S2
MOLECULAR WEIGHT: 446.46379
SMILES: COC1=C(C=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)OC
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Product OPENEYE NAME: propyl 2-[5-[(4-butoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate
CAS Name: 2-[5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid propyl ester
IUPAC NAME: propyl 2-[5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
SYSTEMATIC NAME: propyl 2-[5-[(4-butoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate
MOLECULAR FORMULA: C19H23NO4S2
MOLECULAR WEIGHT: 393.52022
SMILES: CCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)OCCC
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Product OPENEYE NAME: N-(4-ethoxy-2-nitro-phenyl)-2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetamide
CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
IUPAC NAME: N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SYSTEMATIC NAME: N-(4-ethoxy-2-nitro-phenyl)-2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanamide
MOLECULAR FORMULA: C24H25N3O7S
MOLECULAR WEIGHT: 499.5362
SMILES: CCOC1=CC(=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(3-morpholinosulfonylphenyl)hydrazono]cyclohexane-1,3-dione
CAS Name: 2-[[3-(4-morpholinylsulfonyl)phenyl]hydrazinylidene]cyclohexane-1,3-dione
IUPAC NAME: 2-[(3-morpholin-4-ylsulfonylphenyl)hydrazinylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[(3-morpholin-4-ylsulfonylphenyl)hydrazinylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H19N3O5S
MOLECULAR WEIGHT: 365.40416
SMILES: C1CC(=O)C(=NNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)C1
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Product OPENEYE NAME: [2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
CAS Name: 4-morpholinecarboxylic acid [2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
IUPAC NAME: [2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
SYSTEMATIC NAME: [2-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
MOLECULAR FORMULA: C19H19N5O4
MOLECULAR WEIGHT: 381.38526
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC(=O)N4CCOCC4
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Product OPENEYE NAME: 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-fluorophenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CAS Name: 7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-[(3-fluorophenyl)methylthio]-3-[(2-methoxyphenyl)methyl]-4-quinazolinone
IUPAC NAME: 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(3-fluorophenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
SYSTEMATIC NAME: 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-[(3-fluorophenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
MOLECULAR FORMULA: C31H30FN3O5S
MOLECULAR WEIGHT: 575.650403
SMILES: COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5(CC4)OCCO5)N=C2SCC6=CC(=CC=C6)F
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Product OPENEYE NAME: 2-[1-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-(sulfoamino)butoxy]-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CAS Name: 4-hydroxy-3-sulfooxy-2-[1,2,4-trihydroxy-6-oxo-5-(sulfoamino)hexan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
IUPAC NAME: 4-hydroxy-3-sulfooxy-2-[1,2,4-trihydroxy-6-oxo-5-(sulfoamino)hexan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SYSTEMATIC NAME: 4-oxidanyl-3-sulfooxy-2-[1,2,4-tris(oxidanyl)-6-oxidanylidene-5-(sulfoamino)hexan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
MOLECULAR FORMULA: C12H19NO16S2
MOLECULAR WEIGHT: 497.40636
SMILES: C1=C(OC(C(C1O)OS(=O)(=O)O)OC(C(CO)O)C(C(C=O)NS(=O)(=O)O)O)C(=O)O
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Product OPENEYE NAME: 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CAS Name: 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SYSTEMATIC NAME: 3-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)urea
MOLECULAR FORMULA: C26H31N3O3
MOLECULAR WEIGHT: 433.54264
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=O)NC4CCCCC4
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Product OPENEYE NAME: N-cyclopentyl-4-methyl-2-(N-[2-[5-(2-thienyl)tetrazol-2-yl]acetyl]anilino)pentanamide
CAS Name: N-cyclopentyl-4-methyl-2-(N-[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]anilino)pentanamide
IUPAC NAME: N-cyclopentyl-4-methyl-2-(N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)pentanamide
SYSTEMATIC NAME: N-cyclopentyl-4-methyl-2-[phenyl-[2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoyl]amino]pentanamide
MOLECULAR FORMULA: C24H30N6O2S
MOLECULAR WEIGHT: 466.599
SMILES: CC(C)CC(C(=O)NC1CCCC1)N(C2=CC=CC=C2)C(=O)CN3N=C(N=N3)C4=CC=CS4
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Product OPENEYE NAME: 2-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrimidine
CAS Name: 2-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-tetrazolyl]methyl]-1-piperazinyl]pyrimidine
IUPAC NAME: 2-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C20H26N8O2
MOLECULAR WEIGHT: 410.47284
SMILES: COC1=C(C=C(C=C1)CCN2C(=NN=N2)CN3CCN(CC3)C4=NC=CC=N4)OC
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Product OPENEYE NAME: 1,3-benzodioxol-5-yl-[4-methyl-6-(2-nitrophenyl)-1,5,2-dioxazinan-2-yl]methanone
CAS Name: 1,3-benzodioxol-5-yl-[4-methyl-6-(2-nitrophenyl)-1,5,2-dioxazinan-2-yl]methanone
IUPAC NAME: 1,3-benzodioxol-5-yl-[4-methyl-6-(2-nitrophenyl)-1,5,2-dioxazinan-2-yl]methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-[4-methyl-6-(2-nitrophenyl)-1,5,2-dioxazinan-2-yl]methanone
MOLECULAR FORMULA: C18H16N2O7
MOLECULAR WEIGHT: 372.32884
SMILES: CC1CN(OC(O1)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 5-isopropenyl-2-methyl-3-oxo-cyclohexanecarbonitrile
CAS Name: 2-methyl-5-(1-methylethenyl)-3-oxo-1-cyclohexanecarbonitrile
IUPAC NAME: 2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1C(CC(CC1=O)C(=C)C)C#N
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Product OPENEYE NAME: 2-(1,2-dibromoethoxy)isoindoline-1,3-dione
CAS Name: 2-(1,2-dibromoethoxy)isoindole-1,3-dione
IUPAC NAME: 2-(1,2-dibromoethoxy)isoindole-1,3-dione
SYSTEMATIC NAME: 2-[1,2-bis(bromanyl)ethoxy]isoindole-1,3-dione
MOLECULAR FORMULA: C10H7Br2NO3
MOLECULAR WEIGHT: 348.97548
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(CBr)Br
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All Chemical Compounds Information

2012-03-07T02:46:00.001-08:00

Product OPENEYE NAME: 8-methyl-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one
CAS Name: 8-methyl-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one
IUPAC NAME: 8-methyl-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 8-methyl-4-phenyl-1,5-dihydro-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: CC1=CC2=C(C=C1)NC(=CC(=O)N2)C3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H33BrCl2N6O9
MOLECULAR WEIGHT: 820.47062
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5C(N4C3=O)CC6(C(=O)N(C(=O)C6(C5C7=CC=CC=C7OCCO)Cl)CBr)Cl)OC)OC
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Product OPENEYE NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-6-(benzimidazol-1-ylmethyl)-5-methyl-1,3-dioxan-4-yl]phenyl]methanol
CAS Name: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-6-(1-benzimidazolylmethyl)-5-methyl-1,3-dioxan-4-yl]phenyl]methanol
IUPAC NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-6-(benzimidazol-1-ylmethyl)-5-methyl-1,3-dioxan-4-yl]phenyl]methanol
SYSTEMATIC NAME: [4-[2-[4-[3-(aminomethyl)phenyl]phenyl]-6-(benzimidazol-1-ylmethyl)-5-methyl-1,3-dioxan-4-yl]phenyl]methanol
MOLECULAR FORMULA: C33H33N3O3
MOLECULAR WEIGHT: 519.63342
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CN)CN5C=NC6=CC=CC=C65
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Product OPENEYE NAME: 4-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxo-butanoic acid
CAS Name: 4-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxobutanoic acid
IUPAC NAME: 4-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C39H44N2O6
MOLECULAR WEIGHT: 636.77646
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCC(=O)O)CN(C)C(C)C5=CC=CC=C5
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Product OPENEYE NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
CAS Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
IUPAC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C37H47N3O4
MOLECULAR WEIGHT: 597.78678
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C)CN5CCCC5CN6CCCC6
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Product OPENEYE NAME: 1-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-3-(4-phenoxyphenyl)urea
CAS Name: 1-[3-[4-[(1,3-benzothiazol-2-ylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-3-(4-phenoxyphenyl)urea
IUPAC NAME: 1-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-3-(4-phenoxyphenyl)urea
SYSTEMATIC NAME: 1-[3-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-3-(4-phenoxyphenyl)urea
MOLECULAR FORMULA: C39H35N3O5S2
MOLECULAR WEIGHT: 689.8423
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=NC7=CC=CC=C7S6
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Product OPENEYE NAME: 1-benzyl-3-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl-[1-(2-naphthyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
CAS Name: 1-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl-[1-(2-naphthalenyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-naphthalen-2-ylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
SYSTEMATIC NAME: 1-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-naphthalen-2-ylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
MOLECULAR FORMULA: C47H49N3O4
MOLECULAR WEIGHT: 719.90966
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)NCC5=CC=CC=C5)CN(C)C(C)C6=CC7=CC=CC=C7C=C6
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Product OPENEYE NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-2,3,4,5,6-pentafluoro-benzamide
CAS Name: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
IUPAC NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
SYSTEMATIC NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide
MOLECULAR FORMULA: C38H36ClF5N2O5
MOLECULAR WEIGHT: 731.147856
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
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Product OPENEYE NAME: N-[[3-[3-[4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CAS Name: N-[[3-[3-[4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxamide
IUPAC NAME: N-[[3-[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[[3-[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C48H44F3N3O6S
MOLECULAR WEIGHT: 847.93967
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C5CCCN5C(=O)C(F)(F)F)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: 6-acetamido-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanamide
CAS Name: 6-acetamido-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanamide
IUPAC NAME: 6-acetamido-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanamide
SYSTEMATIC NAME: 6-acetamido-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanamide
MOLECULAR FORMULA: C35H41N5O5S
MOLECULAR WEIGHT: 643.79554
SMILES: CC(=O)NCCCCCC(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CSC5=NC=NN5
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Product OPENEYE NAME: N-(3-morpholinopropyl)-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridyl]pyrimidin-4-amine
CAS Name: N-[3-(4-morpholinyl)propyl]-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-4-pyrimidinamine
IUPAC NAME: N-(3-morpholin-4-ylpropyl)-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3-morpholin-4-ylpropyl)-2-phenyl-6-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]pyrimidin-4-amine
MOLECULAR FORMULA: C29H28F3N5O2
MOLECULAR WEIGHT: 535.56013
SMILES: C1COCCN1CCCNC2=NC(=NC(=C2)C3=CN=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=C5
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Product OPENEYE NAME: 2-methyl-N-(3-morpholinopropyl)-6-(2-pyridyl)pyrimidin-4-amine
CAS Name: 2-methyl-N-[3-(4-morpholinyl)propyl]-6-(2-pyridinyl)-4-pyrimidinamine
IUPAC NAME: 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C17H23N5O
MOLECULAR WEIGHT: 313.39742
SMILES: CC1=NC(=CC(=N1)NCCCN2CCOCC2)C3=CC=CC=N3
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All Chemical Compounds Information

2012-03-07T01:46:00.001-08:00

Product OPENEYE NAME: 2-[3-[(4-acetamidophenyl)sulfonylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CAS Name: 2-[[3-[(4-acetamidophenyl)sulfonylamino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
IUPAC NAME: 2-[3-[(4-acetamidophenyl)sulfonylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: 2-[3-[(4-acetamidophenyl)sulfonylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C17H21N5O6S
MOLECULAR WEIGHT: 423.44354
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O
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Product OPENEYE NAME: 1-(2-isobutylsulfanylethyl)-4,5,6,7-tetrahydroindole
CAS Name: 1-[2-(2-methylpropylthio)ethyl]-4,5,6,7-tetrahydroindole
IUPAC NAME: 1-[2-(2-methylpropylsulfanyl)ethyl]-4,5,6,7-tetrahydroindole
SYSTEMATIC NAME: 1-[2-(2-methylpropylsulfanyl)ethyl]-4,5,6,7-tetrahydroindole
MOLECULAR FORMULA: C14H23NS
MOLECULAR WEIGHT: 237.40412
SMILES: CC(C)CSCCN1C=CC2=C1CCCC2
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Product OPENEYE NAME: 1-(4-bromophenyl)-2-[2-[hydroxy-(6-methoxy-4-quinolyl)methyl]-5-vinyl-quinuclidin-1-ium-1-yl]ethanone
CAS Name: 1-(4-bromophenyl)-2-[5-ethenyl-2-[hydroxy-(6-methoxy-4-quinolinyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
IUPAC NAME: 1-(4-bromophenyl)-2-[5-ethenyl-2-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[5-ethenyl-2-[(6-methoxyquinolin-4-yl)-oxidanyl-methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
MOLECULAR FORMULA: C28H30BrN2O3+
MOLECULAR WEIGHT: 522.4534
SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)CC(=O)C5=CC=C(C=C5)Br)O
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Product OPENEYE NAME: N2,N2-diethyl-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine
CAS Name: N2,N2-diethyl-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
IUPAC NAME: 2-N,2-N-diethyl-4-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
SYSTEMATIC NAME: N2,N2-diethyl-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C16H21N5O3
MOLECULAR WEIGHT: 331.36964
SMILES: CCN(CC)C1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])C
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Product OPENEYE NAME: 3-(4-bromophenyl)-3-(4-butylanilino)-1-(p-tolyl)propan-1-one
CAS Name: 3-(4-bromophenyl)-3-(4-butylanilino)-1-(4-methylphenyl)-1-propanone
IUPAC NAME: 3-(4-bromophenyl)-3-(4-butylanilino)-1-(4-methylphenyl)propan-1-one
SYSTEMATIC NAME: 3-(4-bromophenyl)-3-[(4-butylphenyl)amino]-1-(4-methylphenyl)propan-1-one
MOLECULAR FORMULA: C26H28BrNO
MOLECULAR WEIGHT: 450.41062
SMILES: CCCCC1=CC=C(C=C1)NC(CC(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2,6-diamino-4-(4-chlorophenyl)-5-diethoxyphosphoryl-4H-thiopyran-3-carbonitrile
CAS Name: 2,6-diamino-4-(4-chlorophenyl)-5-diethoxyphosphoryl-4H-thiopyran-3-carbonitrile
IUPAC NAME: 2,6-diamino-4-(4-chlorophenyl)-5-diethoxyphosphoryl-4H-thiopyran-3-carbonitrile
SYSTEMATIC NAME: 2,6-bis(azanyl)-4-(4-chlorophenyl)-5-diethoxyphosphoryl-4H-thiopyran-3-carbonitrile
MOLECULAR FORMULA: C16H19ClN3O3PS
MOLECULAR WEIGHT: 399.832121
SMILES: CCOP(=O)(C1=C(SC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)N)OCC
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Product OPENEYE NAME: (4-acetylphenyl) 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid (4-acetylphenyl) ester
IUPAC NAME: (4-acetylphenyl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (4-ethanoylphenyl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CC(=C)C(=O)OC1=CC=C(C=C1)C(=O)C
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Product OPENEYE NAME: N-(2-methoxyphenyl)-6-methyl-5-nitro-2-(2-phenylhydrazino)pyrimidin-4-amine
CAS Name: N-(2-methoxyphenyl)-6-methyl-5-nitro-2-(phenylhydrazo)-4-pyrimidinamine
IUPAC NAME: N-(2-methoxyphenyl)-6-methyl-5-nitro-2-(2-phenylhydrazinyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(2-methoxyphenyl)-6-methyl-5-nitro-2-(2-phenylhydrazinyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H18N6O3
MOLECULAR WEIGHT: 366.37392
SMILES: CC1=C(C(=NC(=N1)NNC2=CC=CC=C2)NC3=CC=CC=C3OC)[N+](=O)[O-]
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Product OPENEYE NAME: N-[4-[(4-acetamido-2,5-dimethyl-phenyl)disulfanyl]-2,5-dimethyl-phenyl]acetamide
CAS Name: N-[4-[(4-acetamido-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylphenyl]acetamide
IUPAC NAME: N-[4-[(4-acetamido-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylphenyl]acetamide
SYSTEMATIC NAME: N-[4-[(4-acetamido-2,5-dimethyl-phenyl)disulfanyl]-2,5-dimethyl-phenyl]ethanamide
MOLECULAR FORMULA: C20H24N2O2S2
MOLECULAR WEIGHT: 388.54676
SMILES: CC1=CC(=C(C=C1SSC2=CC(=C(C=C2C)NC(=O)C)C)C)NC(=O)C
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Product OPENEYE NAME: N-hexadecyl-3-(hydroxyamino)-2-nitroso-but-2-enamide
CAS Name: N-hexadecyl-3-(hydroxyamino)-2-nitroso-2-butenamide
IUPAC NAME: N-hexadecyl-3-(hydroxyamino)-2-nitrosobut-2-enamide
SYSTEMATIC NAME: N-hexadecyl-2-nitroso-3-(oxidanylamino)but-2-enamide
MOLECULAR FORMULA: C20H39N3O3
MOLECULAR WEIGHT: 369.54196
SMILES: CCCCCCCCCCCCCCCCNC(=O)C(=C(C)NO)N=O
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Product OPENEYE NAME: (4-methoxyphenyl)methyl N-(cyclopentylideneamino)carbamate
CAS Name: N-(cyclopentylideneamino)carbamic acid (4-methoxyphenyl)methyl ester
IUPAC NAME: (4-methoxyphenyl)methyl N-(cyclopentylideneamino)carbamate
SYSTEMATIC NAME: (4-methoxyphenyl)methyl N-(cyclopentylideneamino)carbamate
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: COC1=CC=C(C=C1)COC(=O)NN=C2CCCC2
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Product OPENEYE NAME: 5-(2-chloro-4-iodo-phenyl)furan-2-carboxylate
CAS Name: 5-(2-chloro-4-iodophenyl)-2-furancarboxylate
IUPAC NAME: 5-(2-chloro-4-iodophenyl)furan-2-carboxylate
SYSTEMATIC NAME: 5-(2-chloranyl-4-iodanyl-phenyl)furan-2-carboxylate
MOLECULAR FORMULA: C11H5ClIO3-
MOLECULAR WEIGHT: 347.51307
SMILES: C1=CC(=C(C=C1I)Cl)C2=CC=C(O2)C(=O)[O-]
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Product OPENEYE NAME: 5-(2-chloro-4-iodo-phenyl)furan-2-carboxylic acid
CAS Name: 5-(2-chloro-4-iodophenyl)-2-furancarboxylic acid
IUPAC NAME: 5-(2-chloro-4-iodophenyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(2-chloranyl-4-iodanyl-phenyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C11H6ClIO3
MOLECULAR WEIGHT: 348.52101
SMILES: C1=CC(=C(C=C1I)Cl)C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: 7-(bromomethyl)-5-phenyl-tetrazolo[1,5-a]quinazoline
CAS Name: 7-(bromomethyl)-5-phenyltetrazolo[1,5-a]quinazoline
IUPAC NAME: 7-(bromomethyl)-5-phenyltetrazolo[1,5-a]quinazoline
SYSTEMATIC NAME: 7-(bromomethyl)-5-phenyl-[1,2,3,4]tetrazolo[1,5-a]quinazoline
MOLECULAR FORMULA: C15H10BrN5
MOLECULAR WEIGHT: 340.1774
SMILES: C1=CC=C(C=C1)C2=NC3=NN=NN3C4=C2C=C(C=C4)CBr
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Product OPENEYE NAME: 3-(1-hydrazinovinyl)-6-methyl-4-phenyl-1H-quinolin-2-one
CAS Name: 3-(1-hydrazinylethenyl)-6-methyl-4-phenyl-1H-quinolin-2-one
IUPAC NAME: 3-(1-hydrazinylethenyl)-6-methyl-4-phenyl-1H-quinolin-2-one
SYSTEMATIC NAME: 3-(1-diazanylethenyl)-6-methyl-4-phenyl-1H-quinolin-2-one
MOLECULAR FORMULA: C18H17N3O
MOLECULAR WEIGHT: 291.34708
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)C(=C)NN
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Product OPENEYE NAME: [amino(phenyl)methylene]-(2-thienylsulfonyl)ammonium
CAS Name: [amino(phenyl)methylidene]-thiophen-2-ylsulfonylammonium
IUPAC NAME: [amino(phenyl)methylidene]-thiophen-2-ylsulfonylazanium
SYSTEMATIC NAME: [azanyl(phenyl)methylidene]-thiophen-2-ylsulfonyl-azanium
MOLECULAR FORMULA: C11H11N2O2S2+
MOLECULAR WEIGHT: 267.34724
SMILES: C1=CC=C(C=C1)C(=[NH+]S(=O)(=O)C2=CC=CS2)N
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All Chemical Compounds Information

2012-03-07T00:46:00.001-08:00

Product OPENEYE NAME: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-methyl-benzamide
CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-4-methylbenzamide
IUPAC NAME: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SYSTEMATIC NAME: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-methyl-benzamide
MOLECULAR FORMULA: C21H22N2OS
MOLECULAR WEIGHT: 350.47718
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: O2-tert-butyl O4-ethyl 5-[(2-chlorobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester
IUPAC NAME: 2-O-tert-butyl 4-O-ethyl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: O2-tert-butyl O4-ethyl 5-[(2-chlorophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C20H22ClNO5S
MOLECULAR WEIGHT: 423.91038
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-N-(4-pyridylmethyl)quinoline-4-carboxamide
CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C23H17N3O3
MOLECULAR WEIGHT: 383.39938
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=NC=C5
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Product OPENEYE NAME: 7-chloro-1-[2-(diethylamino)ethyl]pyrido[2,3-b][1,4]oxazin-2-one
CAS Name: 7-chloro-1-[2-(diethylamino)ethyl]-2-pyrido[2,3-b][1,4]oxazinone
IUPAC NAME: 7-chloro-1-[2-(diethylamino)ethyl]pyrido[2,3-b][1,4]oxazin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[2-(diethylamino)ethyl]pyrido[2,3-b][1,4]oxazin-2-one
MOLECULAR FORMULA: C13H18ClN3O2
MOLECULAR WEIGHT: 283.75392
SMILES: CCN(CC)CCN1C(=O)COC2=NC=C(C=C21)Cl
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Product OPENEYE NAME: N-(cyanomethyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfonyl-naphthalene-2-sulfonamide
CAS Name: N-(cyanomethyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfonyl-2-naphthalenesulfonamide
IUPAC NAME: N-(cyanomethyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfonylnaphthalene-2-sulfonamide
SYSTEMATIC NAME: N-(cyanomethyl)-N-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonyl-naphthalene-2-sulfonamide
MOLECULAR FORMULA: C18H9F5N2O4S2
MOLECULAR WEIGHT: 476.397076
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CC#N)S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F
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Product OPENEYE NAME: 6-(2-hydroxy-4-methoxy-phenyl)-2-methyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(2-hydroxy-4-methoxyphenyl)-2-methyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(2-hydroxy-4-methoxyphenyl)-2-methyl-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(4-methoxy-2-oxidanyl-phenyl)-2-methyl-8-[(4-methylphenyl)amino]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C35H33N3O6
MOLECULAR WEIGHT: 591.65302
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)OC)O)C(=O)N(C5=O)C
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Product OPENEYE NAME: 6-(3-allyl-2-hydroxy-phenyl)-8-(4-methylanilino)-2,6a-diphenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(2-hydroxy-3-prop-2-enylphenyl)-8-(4-methylanilino)-2,6a-diphenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(2-hydroxy-3-prop-2-enylphenyl)-8-(4-methylanilino)-2,6a-diphenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[(4-methylphenyl)amino]-6-(2-oxidanyl-3-prop-2-enyl-phenyl)-2,6a-diphenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C42H37N3O5
MOLECULAR WEIGHT: 663.76028
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C(=CC=C7)CC=C)O)C(=O)N(C5=O)C8=CC=CC=C8
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Product OPENEYE NAME: 2-cyclohexyl-6-(4-hydroxy-3-methyl-phenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-cyclohexyl-6-(4-hydroxy-3-methylphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-cyclohexyl-6-(4-hydroxy-3-methylphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-cyclohexyl-6-(3-methyl-4-oxidanyl-phenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C40H41N3O5
MOLECULAR WEIGHT: 643.77064
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=CC(=C(C=C7)O)C)C(=O)N(C5=O)C8CCCCC8
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Product OPENEYE NAME: 2-hydroxy-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-hydroxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-hydroxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-8-[(4-methylphenyl)amino]-2-oxidanyl-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C34H30IN3O7
MOLECULAR WEIGHT: 719.52237
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7)I)O)OC)C(=O)N(C5=O)O
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Product OPENEYE NAME: 2-(4-acetylphenyl)-6-(2-hydroxy-1-naphthyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-acetylphenyl)-6-(2-hydroxy-1-naphthalenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-acetylphenyl)-6-(2-hydroxynaphthalen-1-yl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-(4-ethanoylphenyl)-8-[(4-methylphenyl)amino]-6-(2-oxidanylnaphthalen-1-yl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C45H37N3O6
MOLECULAR WEIGHT: 715.79178
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C=CC8=CC=CC=C87)O)C(=O)N(C5=O)C9=CC=C(C=C9)C(=O)C
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Product OPENEYE NAME: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(2-hydroxy-5-methoxy-phenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(2-hydroxy-5-methoxyphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(2-hydroxy-5-methoxyphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[(2,4-dichlorophenyl)amino]-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(5-methoxy-2-oxidanyl-phenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C42H36Cl2N6O11
MOLECULAR WEIGHT: 871.67484
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=C(C=CC(=C6)OC)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(2,4-dichlorophenyl)prop-2-enal
CAS Name: 3-(2,4-dichlorophenyl)-2-propenal
IUPAC NAME: 3-(2,4-dichlorophenyl)prop-2-enal
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)prop-2-enal
MOLECULAR FORMULA: C9H6Cl2O
MOLECULAR WEIGHT: 201.04934
SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC=O
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Product OPENEYE NAME: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) cyclohexanecarbothioate
CAS Name: cyclohexanecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester
IUPAC NAME: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) cyclohexanecarbothioate
SYSTEMATIC NAME: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) cyclohexanecarbothioate
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: CC1=CC(=O)N=C(N1)SC(=O)C2CCCCC2
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All Chemical Compounds Information

2012-03-06T23:45:00.001-08:00

Product OPENEYE NAME: 6-tert-butyl-N-(2,4-dimethylphenyl)-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-N-(2,4-dimethylphenyl)-2-[[(2-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-N-(2,4-dimethylphenyl)-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C29H34N2O2S
MOLECULAR WEIGHT: 474.65746
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=CC=C4C)C
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Product OPENEYE NAME: 4-(3-chloro-4-fluoro-phenyl)-3-methyl-N-phenyl-thiazol-2-imine
CAS Name: 4-(3-chloro-4-fluorophenyl)-3-methyl-N-phenyl-2-thiazolimine
IUPAC NAME: 4-(3-chloro-4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C16H12ClFN2S
MOLECULAR WEIGHT: 318.796283
SMILES: CN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: N-allyl-3-(4-chlorophenyl)prop-2-enamide
CAS Name: 3-(4-chlorophenyl)-N-prop-2-enyl-2-propenamide
IUPAC NAME: 3-(4-chlorophenyl)-N-prop-2-enylprop-2-enamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-N-prop-2-enyl-prop-2-enamide
MOLECULAR FORMULA: C12H12ClNO
MOLECULAR WEIGHT: 221.68278
SMILES: C=CCNC(=O)C=CC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: N-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-N-(2-methoxyethyl)acetamide
CAS Name: N-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-N-(2-methoxyethyl)acetamide
IUPAC NAME: N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
SYSTEMATIC NAME: N-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-N-(2-methoxyethyl)ethanamide
MOLECULAR FORMULA: C17H21ClN2O2
MOLECULAR WEIGHT: 320.81384
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)CN(CCOC)C(=O)C)Cl)C
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Product OPENEYE NAME: 3-amino-2-(2-thienylmethyl)quinazolin-4-one
CAS Name: 3-amino-2-(thiophen-2-ylmethyl)-4-quinazolinone
IUPAC NAME: 3-amino-2-(thiophen-2-ylmethyl)quinazolin-4-one
SYSTEMATIC NAME: 3-azanyl-2-(thiophen-2-ylmethyl)quinazolin-4-one
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)N
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Product OPENEYE NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide
CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
IUPAC NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
SYSTEMATIC NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide
MOLECULAR FORMULA: C20H26N2O2S
MOLECULAR WEIGHT: 358.49764
SMILES: CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CC(CC3)C
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Product OPENEYE NAME: 4-ethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-ethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-ethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-ethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C18H18N2O3S
MOLECULAR WEIGHT: 342.41212
SMILES: CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)C
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Product OPENEYE NAME: 3-chloro-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzamide
CAS Name: 3-chloro-N-[4-(4-phenylphenyl)-5-propyl-2-thiazolyl]benzamide
IUPAC NAME: 3-chloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C25H21ClN2OS
MOLECULAR WEIGHT: 432.96504
SMILES: CCCC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[benzyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide
CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 4-[benzyl(methyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[methyl-(phenylmethyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C27H27N3O3S2
MOLECULAR WEIGHT: 505.65158
SMILES: CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)C
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Product OPENEYE NAME: 4-chloro-N-(4-tetralin-6-ylthiazol-2-yl)benzamide
CAS Name: 4-chloro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thiazolyl]benzamide
IUPAC NAME: 4-chloro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H17ClN2OS
MOLECULAR WEIGHT: 368.87978
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,6-difluoro-benzamide
CAS Name: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
IUPAC NAME: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
SYSTEMATIC NAME: N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C17H14F2N2O2S
MOLECULAR WEIGHT: 348.367066
SMILES: CCN1C2=C(C=CC=C2SC1=NC(=O)C3=C(C=CC=C3F)F)OC
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Product OPENEYE NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CAS Name: 3-(1,3-benzothiazol-2-yl)-2-[(1-oxo-3-phenylpropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(1,3-benzothiazol-2-yl)-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
MOLECULAR FORMULA: C26H25N3O3S2
MOLECULAR WEIGHT: 491.625
SMILES: CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CCC5=CC=CC=C5
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Product OPENEYE NAME: 2-[(4-ethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
IUPAC NAME: 2-[(4-ethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SYSTEMATIC NAME: 2-[(4-ethoxyphenyl)carbonylamino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C(=O)N
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Product OPENEYE NAME: ethyl 2-[(2-phenoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[oxo-(2-phenoxyphenyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(2-phenoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-phenoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C23H18N2O4S
MOLECULAR WEIGHT: 418.46502
SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4
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Product OPENEYE NAME: 4-[ethyl(phenyl)sulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CAS Name: 4-[ethyl(phenyl)sulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
IUPAC NAME: 4-[ethyl(phenyl)sulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-[ethyl(phenyl)sulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
MOLECULAR FORMULA: C23H21N3O5S3
MOLECULAR WEIGHT: 515.62494
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C
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Product OPENEYE NAME: 4-(dimethylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-(dimethylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-(dimethylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-(dimethylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C20H23N3O4S2
MOLECULAR WEIGHT: 433.54432
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)S2)CCOC
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Product OPENEYE NAME: 4-[butyl(ethyl)sulfamoyl]-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-[butyl(ethyl)sulfamoyl]-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[6-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C23H28ClN3O4S2
MOLECULAR WEIGHT: 510.06912
SMILES: CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCOC
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Product OPENEYE NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C26H26N4O6S3
MOLECULAR WEIGHT: 586.70284
SMILES: COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4
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Product OPENEYE NAME: ethyl 2-(2,4-dichlorobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[(2,4-dichlorophenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2,4-dichlorobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-(2,4-dichlorophenyl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C21H20Cl2N2O4S
MOLECULAR WEIGHT: 467.3655
SMILES: CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide
CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
IUPAC NAME: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
SYSTEMATIC NAME: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-propanamide
MOLECULAR FORMULA: C20H21BrN2O2S
MOLECULAR WEIGHT: 433.36194
SMILES: CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCC3=CC=CC=C3
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All Chemical Compounds Information

2012-03-06T22:45:00.001-08:00

Product OPENEYE NAME: N-(2,4-dinitroanilino)-N'-(3-methoxyphenyl)acetamidine
CAS Name: N-(2,4-dinitroanilino)-N'-(3-methoxyphenyl)ethanimidamide
IUPAC NAME: N-(2,4-dinitroanilino)-N'-(3-methoxyphenyl)ethanimidamide
SYSTEMATIC NAME: N-[(2,4-dinitrophenyl)amino]-N'-(3-methoxyphenyl)ethanimidamide
MOLECULAR FORMULA: C15H15N5O5
MOLECULAR WEIGHT: 345.3101
SMILES: CC(=NC1=CC(=CC=C1)OC)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-(4-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide
CAS Name: N-[2-(4-methylphenoxy)ethyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide
IUPAC NAME: N-[2-(4-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
SYSTEMATIC NAME: N-[2-(4-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C18H17F3N2O4S
MOLECULAR WEIGHT: 414.39879
SMILES: CC1=CC=C(C=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoate
CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitrobenzoate
IUPAC NAME: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzoate
SYSTEMATIC NAME: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoate
MOLECULAR FORMULA: C13H16N3O5-
MOLECULAR WEIGHT: 294.28324
SMILES: C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: N-(2-hydroxy-3,5-dinitro-phenyl)acetamide
CAS Name: N-(2-hydroxy-3,5-dinitrophenyl)acetamide
IUPAC NAME: N-(2-hydroxy-3,5-dinitrophenyl)acetamide
SYSTEMATIC NAME: N-(3,5-dinitro-2-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H7N3O6
MOLECULAR WEIGHT: 241.15768
SMILES: CC(=O)NC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-chloro-3-nitro-phenyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]oxazol-5-one
CAS Name: 2-(4-chloro-3-nitrophenyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-5-oxazolone
IUPAC NAME: 2-(4-chloro-3-nitrophenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: 2-(4-chloranyl-3-nitro-phenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1,3-oxazol-5-one
MOLECULAR FORMULA: C19H13ClN2O5
MOLECULAR WEIGHT: 384.76992
SMILES: CC1CC2=C(O1)C=CC(=C2)C=C3C(=O)OC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] 4-bromobenzoate
CAS Name: 4-bromobenzoic acid [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl] ester
IUPAC NAME: [4-(11,11-dimethyl-9-oxo-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxyphenyl] 4-bromobenzoate
SYSTEMATIC NAME: [4-(11,11-dimethyl-9-oxidanylidene-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-8-yl)-2-methoxy-phenyl] 4-bromanylbenzoate
MOLECULAR FORMULA: C32H27BrN2O4
MOLECULAR WEIGHT: 583.47178
SMILES: CC1(CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC(=C(C=C5)OC(=O)C6=CC=C(C=C6)Br)OC)C(=O)C1)C
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Product OPENEYE NAME: ethyl 2-[[3-imidazol-1-ylpropyl(o-tolylmethyl)carbamothioyl]amino]acetate
CAS Name: 2-[[[3-(1-imidazolyl)propyl-[(2-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]carbamothioyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[3-imidazol-1-ylpropyl-[(2-methylphenyl)methyl]carbamothioyl]amino]ethanoate
MOLECULAR FORMULA: C19H26N4O2S
MOLECULAR WEIGHT: 374.50034
SMILES: CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CC=CC=C2C
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Product OPENEYE NAME: 3-isobutyl-1-(3-morpholinopropyl)-1-(o-tolylmethyl)thiourea
CAS Name: 1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C20H33N3OS
MOLECULAR WEIGHT: 363.56052
SMILES: CC1=CC=CC=C1CN(CCCN2CCOCC2)C(=S)NCC(C)C
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Product OPENEYE NAME: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
CAS Name: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-propanone
IUPAC NAME: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
SYSTEMATIC NAME: 3-(4-azidophenyl)-1-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]propan-1-one
MOLECULAR FORMULA: C21H23N3O9
MOLECULAR WEIGHT: 461.42202
SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)N=[N+]=[N-]
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Product OPENEYE NAME: 5,6-diamino-3H-1,3-benzothiazol-2-one
CAS Name: 5,6-diamino-3H-1,3-benzothiazol-2-one
IUPAC NAME: 5,6-diamino-3H-1,3-benzothiazol-2-one
SYSTEMATIC NAME: 5,6-bis(azanyl)-3H-1,3-benzothiazol-2-one
MOLECULAR FORMULA: C7H7N3OS
MOLECULAR WEIGHT: 181.21498
SMILES: C1=C2C(=CC(=C1N)N)SC(=O)N2
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Product OPENEYE NAME: N-[6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]acetamide
CAS Name: N-[6-(hydroxymethyl)-2-methoxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxanyl]acetamide
IUPAC NAME: N-[6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methoxy-5-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
MOLECULAR FORMULA: C21H37NO15
MOLECULAR WEIGHT: 543.51618
SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC)CO)O)O)O
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Product OPENEYE NAME: 5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxy-ethoxy)-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid
CAS Name: 5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxyethoxy)-3,4-dihydroxy-2-oxanyl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid
IUPAC NAME: 5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxyethoxy)-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SYSTEMATIC NAME: 5-acetamido-2-[[5-acetamido-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-3,4-bis(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C22H37N3O16
MOLECULAR WEIGHT: 599.53968
SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OCC(C(=O)O)N)NC(=O)C)O)O)O
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Product OPENEYE NAME: ethyl 2-cyano-4,4,4-trifluoro-2-phenyl-butanoate
CAS Name: 2-cyano-4,4,4-trifluoro-2-phenylbutanoic acid ethyl ester
IUPAC NAME: ethyl 2-cyano-4,4,4-trifluoro-2-phenylbutanoate
SYSTEMATIC NAME: ethyl 2-cyano-4,4,4-tris(fluoranyl)-2-phenyl-butanoate
MOLECULAR FORMULA: C13H12F3NO2
MOLECULAR WEIGHT: 271.23509
SMILES: CCOC(=O)C(CC(F)(F)F)(C#N)C1=CC=CC=C1
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Product OPENEYE NAME: O1-tert-butyl O3-ethyl pyrrolidine-1,3-dicarboxylate
CAS Name: pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester
IUPAC NAME: 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O3-ethyl pyrrolidine-1,3-dicarboxylate
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxylate
CAS Name: 4-[[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C26H27N3O5
MOLECULAR WEIGHT: 461.50968
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C
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Product OPENEYE NAME: N-[3-[5-[2-[4-(diethylsulfamoyl)phenyl]-2-oxo-ethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
CAS Name: N-[3-[5-[[2-[4-(diethylsulfamoyl)phenyl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
IUPAC NAME: N-[3-[5-[2-[4-(diethylsulfamoyl)phenyl]-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
SYSTEMATIC NAME: N-[3-[5-[2-[4-(diethylsulfamoyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]propyl]ethanamide
MOLECULAR FORMULA: C27H35N5O5S2
MOLECULAR WEIGHT: 573.7273
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)CCCNC(=O)C
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(2-morpholinoethyl)thiourea
CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(1-cyclohex-3-enylmethyl)-1-[2-(4-morpholinyl)ethyl]thiourea
IUPAC NAME: 3-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(2-morpholin-4-ylethyl)thiourea
MOLECULAR FORMULA: C22H31N3O3S
MOLECULAR WEIGHT: 417.56484
SMILES: C1CC(CC=C1)CN(CCN2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 3-(3,5-dimethylphenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea
CAS Name: 3-(3,5-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea
IUPAC NAME: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(3,5-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C22H30N4OS
MOLECULAR WEIGHT: 398.5648
SMILES: CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3)C
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Product OPENEYE NAME: 2-amino-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 2-amino-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CN1C(=O)C2=C(N=C1N)SC3=C2CCCC3
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Product OPENEYE NAME: (5-nitro-1-sec-butyl-benzimidazol-2-yl)methanol
CAS Name: (1-butan-2-yl-5-nitro-2-benzimidazolyl)methanol
IUPAC NAME: (1-butan-2-yl-5-nitrobenzimidazol-2-yl)methanol
SYSTEMATIC NAME: (1-butan-2-yl-5-nitro-benzimidazol-2-yl)methanol
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: CCC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CO
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All Chemical Compounds Information

2012-03-06T21:46:00.001-08:00

Product OPENEYE NAME: 2,3,4,5-tetrachloro-6-hexoxycarbonyl-benzoic acid
CAS Name: 2,3,4,5-tetrachloro-6-[hexoxy(oxo)methyl]benzoic acid
IUPAC NAME: 2,3,4,5-tetrachloro-6-hexoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(chloranyl)-6-hexoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C14H14Cl4O4
MOLECULAR WEIGHT: 388.07056
SMILES: CCCCCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O
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Product OPENEYE NAME: 1-benzyl-1-methyl-3-(o-tolyl)urea
CAS Name: 1-methyl-3-(2-methylphenyl)-1-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-1-methyl-3-(2-methylphenyl)urea
SYSTEMATIC NAME: 1-methyl-3-(2-methylphenyl)-1-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=CC=CC=C1NC(=O)N(C)CC2=CC=CC=C2
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Product OPENEYE NAME: 2-methoxyethyl N-(4-chloro-2-methyl-phenyl)carbamate
CAS Name: N-(4-chloro-2-methylphenyl)carbamic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl N-(4-chloro-2-methylphenyl)carbamate
SYSTEMATIC NAME: 2-methoxyethyl N-(4-chloranyl-2-methyl-phenyl)carbamate
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)OCCOC
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Product OPENEYE NAME: (4-chloro-2,6-dimethyl-phenyl) N-(3-chloro-2-methyl-phenyl)carbamate
CAS Name: N-(3-chloro-2-methylphenyl)carbamic acid (4-chloro-2,6-dimethylphenyl) ester
IUPAC NAME: (4-chloro-2,6-dimethylphenyl) N-(3-chloro-2-methylphenyl)carbamate
SYSTEMATIC NAME: (4-chloranyl-2,6-dimethyl-phenyl) N-(3-chloranyl-2-methyl-phenyl)carbamate
MOLECULAR FORMULA: C16H15Cl2NO2
MOLECULAR WEIGHT: 324.2018
SMILES: CC1=CC(=CC(=C1OC(=O)NC2=C(C(=CC=C2)Cl)C)C)Cl
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Product OPENEYE NAME: 1-(2,6-dichlorophenyl)-3-(2,4-dimethylphenyl)urea
CAS Name: 1-(2,6-dichlorophenyl)-3-(2,4-dimethylphenyl)urea
IUPAC NAME: 1-(2,6-dichlorophenyl)-3-(2,4-dimethylphenyl)urea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-(2,4-dimethylphenyl)urea
MOLECULAR FORMULA: C15H14Cl2N2O
MOLECULAR WEIGHT: 309.19046
SMILES: CC1=CC(=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl)C
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Product OPENEYE NAME: S-(4-hydroxyphenyl) N-butylcarbamothioate
CAS Name: N-butylcarbamothioic acid S-(4-hydroxyphenyl) ester
IUPAC NAME: S-(4-hydroxyphenyl) N-butylcarbamothioate
SYSTEMATIC NAME: S-(4-hydroxyphenyl) N-butylcarbamothioate
MOLECULAR FORMULA: C11H15NO2S
MOLECULAR WEIGHT: 225.3073
SMILES: CCCCNC(=O)SC1=CC=C(C=C1)O
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Product OPENEYE NAME: 9-bromo-6-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-(3-chloro-4-methyl-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 9-bromo-6-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(3-chloro-4-methylphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 9-bromo-6-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(3-chloro-4-methylphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 9-bromanyl-6-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-(3-chloranyl-4-methyl-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C30H22Br2ClNO6
MOLECULAR WEIGHT: 687.75978
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5=C(C4C6=CC(=CC(=C6O)OC)Br)C(=O)C=C(C5=O)Br)Cl
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Product OPENEYE NAME: 9-bromo-2-tert-butyl-6-(4-hydroxy-3,5-dimethoxy-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 9-bromo-2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 9-bromo-2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 9-bromanyl-2-tert-butyl-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C28H28BrNO7
MOLECULAR WEIGHT: 570.42842
SMILES: CC(C)(C)N1C(=O)C2CC=C3C(C2C1=O)CC4=C(C3C5=CC(=C(C(=C5)OC)O)OC)C(=O)C=C(C4=O)Br
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Product OPENEYE NAME: 2-(4-benzoylphenyl)-6-(3-fluoro-2-hydroxy-phenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-benzoylphenyl)-6-(3-fluoro-2-hydroxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-benzoylphenyl)-6-(3-fluoro-2-hydroxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3-fluoranyl-2-oxidanyl-phenyl)-9-methyl-2-[4-(phenylcarbonyl)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C36H26FNO6
MOLECULAR WEIGHT: 587.593143
SMILES: CC1=CC(=O)C2=C(C1=O)CC3C4C(CC=C3C2C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
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Product OPENEYE NAME: 4-[6-[5-(hydroxymethyl)-2-furyl]-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]butanoic acid
CAS Name: 4-[6-[5-(hydroxymethyl)-2-furanyl]-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]butanoic acid
IUPAC NAME: 4-[6-[5-(hydroxymethyl)furan-2-yl]-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[6-[5-(hydroxymethyl)furan-2-yl]-9-methyl-1,3,7,10-tetrakis(oxidanylidene)-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]butanoic acid
MOLECULAR FORMULA: C26H25NO8
MOLECULAR WEIGHT: 479.4786
SMILES: CC1=CC(=O)C2=C(C1=O)CC3C4C(CC=C3C2C5=CC=C(O5)CO)C(=O)N(C4=O)CCCC(=O)O
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Product OPENEYE NAME: 3-[6-(5-bromo-2-hydroxy-3-methoxy-phenyl)-8-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]benzoic acid
CAS Name: 3-[6-(5-bromo-2-hydroxy-3-methoxyphenyl)-8-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]benzoic acid
IUPAC NAME: 3-[6-(5-bromo-2-hydroxy-3-methoxyphenyl)-8-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[6-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-8-methyl-1,3,7,10-tetrakis(oxidanylidene)-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C31H24BrNO8
MOLECULAR WEIGHT: 618.42816
SMILES: CC1=CC(=O)C2=C(C1=O)C(C3=CCC4C(C3C2)C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)C6=CC(=CC(=C6O)OC)Br
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Product OPENEYE NAME: 2-benzyl-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-8-methyl-2-(phenylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-benzyl-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-8-methyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-8-methyl-2-(phenylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C31H26ClNO6
MOLECULAR WEIGHT: 543.99424
SMILES: CC1=CC(=O)C2=C(C1=O)C(C3=CCC4C(C3C2)C(=O)N(C4=O)CC5=CC=CC=C5)C6=CC(=C(C(=C6)Cl)O)OC
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Product OPENEYE NAME: methyl 4-[6-[cyclohexyl(methyl)carbamoyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
CAS Name: 4-[6-[[cyclohexyl(methyl)amino]-oxomethyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[6-[cyclohexyl(methyl)carbamoyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
SYSTEMATIC NAME: methyl 4-[6-[cyclohexyl(methyl)carbamoyl]-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
MOLECULAR FORMULA: C25H35NO6
MOLECULAR WEIGHT: 445.5485
SMILES: CN(C1CCCCC1)C(=O)C2=CC(CC(O2)OCCCCO)C3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-(3-thienyl)-3,4-dihydro-2H-pyran-6-carboxamide
CAS Name: 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-(3-thiophenyl)-3,4-dihydro-2H-pyran-6-carboxamide
IUPAC NAME: 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SYSTEMATIC NAME: 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: COCCNC(=O)C1=CC(CC(O1)OCC2=CC=C(C=C2)CO)C3=CSC=C3
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Product OPENEYE NAME: 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CAS Name: 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-(4-oxo-1-benzopyran-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
IUPAC NAME: 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SYSTEMATIC NAME: 2-ethoxy-N-(2-hydroxyphenyl)-4-(4-oxidanylidenechromen-3-yl)-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
MOLECULAR FORMULA: C26H27NO7
MOLECULAR WEIGHT: 465.49508
SMILES: CCOC1C(C(C=C(O1)C(=O)NC2=CC=CC=C2O)C3=COC4=CC=CC=C4C3=O)CCCO
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Product OPENEYE NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-isobenzofuran-5-carboxamide
CAS Name: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-5-isobenzofurancarboxamide
IUPAC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide
MOLECULAR FORMULA: C31H30N2O8
MOLECULAR WEIGHT: 558.5785
SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)C6=CC=C(C=C6)CO
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Product OPENEYE NAME: N-[[4-[4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]quinoline-8-sulfonamide
CAS Name: N-[[4-[4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-8-quinolinesulfonamide
IUPAC NAME: N-[[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: N-[[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C44H39N3O6S2
MOLECULAR WEIGHT: 769.92696
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]hexadecanamide
CAS Name: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]hexadecanamide
IUPAC NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]hexadecanamide
SYSTEMATIC NAME: N-[[4-[4-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]hexadecanamide
MOLECULAR FORMULA: C52H69ClN2O5
MOLECULAR WEIGHT: 837.56766
SMILES: CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C2OC(C(C(O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
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Product OPENEYE NAME: 1-benzyl-3-[[3-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
CAS Name: 1-[[3-[4-[4-[(2-hydroxyethylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-[[3-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
SYSTEMATIC NAME: 1-[[3-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
MOLECULAR FORMULA: C36H40N2O5S
MOLECULAR WEIGHT: 612.7782
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)NCC5=CC=CC=C5)CSCCO
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Product OPENEYE NAME: 2-[allyl-[(3-chlorophenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: 2-[[(3-chloroanilino)-oxomethyl]-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide
IUPAC NAME: 2-[(3-chlorophenyl)carbamoyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[(3-chlorophenyl)carbamoyl-prop-2-enyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C25H25ClFN3O2S
MOLECULAR WEIGHT: 486.001303
SMILES: CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC=C)C(=O)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-[allyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thiophenyl)methyl]-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]-prop-2-enylamino]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[prop-2-enyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[prop-2-enyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethanamide
MOLECULAR FORMULA: C26H25F4N3O2S
MOLECULAR WEIGHT: 519.554213
SMILES: CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC=C)C(=O)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: 2-[allyl(tert-butylcarbamoyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: 2-[[(tert-butylamino)-oxomethyl]-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide
IUPAC NAME: 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[tert-butylcarbamoyl(prop-2-enyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C23H30FN3O2S
MOLECULAR WEIGHT: 431.566603
SMILES: CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC=C)C(=O)NC(C)(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: CC1CC(C2(C1C3CC4C5(O4)CC(CCC5(C3CC2)C)OC(=O)C)C)C(=O)C
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All Chemical Compounds Information

2012-03-06T20:46:00.001-08:00

Product OPENEYE NAME: 2-bromo-3-(2-hydroxyanilino)-5,5-dimethyl-cyclohex-2-en-1-one
CAS Name: 2-bromo-3-(2-hydroxyanilino)-5,5-dimethyl-1-cyclohex-2-enone
IUPAC NAME: 2-bromo-3-(2-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 2-bromanyl-3-[(2-hydroxyphenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C14H16BrNO2
MOLECULAR WEIGHT: 310.18634
SMILES: CC1(CC(=C(C(=O)C1)Br)NC2=CC=CC=C2O)C
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Product OPENEYE NAME: N-(3-fluoro-2-methyl-phenyl)-1-phenyl-cyclopentanecarboxamide
CAS Name: N-(3-fluoro-2-methylphenyl)-1-phenyl-1-cyclopentanecarboxamide
IUPAC NAME: N-(3-fluoro-2-methylphenyl)-1-phenylcyclopentane-1-carboxamide
SYSTEMATIC NAME: N-(3-fluoranyl-2-methyl-phenyl)-1-phenyl-cyclopentane-1-carboxamide
MOLECULAR FORMULA: C19H20FNO
MOLECULAR WEIGHT: 297.366603
SMILES: CC1=C(C=CC=C1F)NC(=O)C2(CCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-4-(trifluoromethyl)thiazole
CAS Name: 5-[5-[(2,6-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-4-(trifluoromethyl)thiazole
IUPAC NAME: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SYSTEMATIC NAME: 5-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
MOLECULAR FORMULA: C15H11Cl2F3N4S2
MOLECULAR WEIGHT: 439.30585
SMILES: CC1=NC(=C(S1)C2=NN=C(N2C)SCC3=C(C=CC=C3Cl)Cl)C(F)(F)F
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Product OPENEYE NAME: pyrrolidin-1-yl-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone
CAS Name: 1-pyrrolidinyl-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone
IUPAC NAME: pyrrolidin-1-yl-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone
SYSTEMATIC NAME: pyrrolidin-1-yl-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone
MOLECULAR FORMULA: C14H12F3N3O
MOLECULAR WEIGHT: 295.25979
SMILES: C1CCN(C1)C(=O)C2=C(N=C3C=CN=CC3=C2)C(F)(F)F
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Product OPENEYE NAME: 2-(2-pyridyl)-4-(3-pyridyl)-5-(4-pyridyl)pyrimidine
CAS Name: 2-(2-pyridinyl)-4-(3-pyridinyl)-5-pyridin-4-ylpyrimidine
IUPAC NAME: 2-pyridin-2-yl-4-pyridin-3-yl-5-pyridin-4-ylpyrimidine
SYSTEMATIC NAME: 2-pyridin-2-yl-4-pyridin-3-yl-5-pyridin-4-yl-pyrimidine
MOLECULAR FORMULA: C19H13N5
MOLECULAR WEIGHT: 311.34002
SMILES: C1=CC=NC(=C1)C2=NC=C(C(=N2)C3=CN=CC=C3)C4=CC=NC=C4
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Product OPENEYE NAME: 6-chloro-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]pyridine-3-carboxamide
CAS Name: 6-chloro-N-[4-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]phenyl]-3-pyridinecarboxamide
IUPAC NAME: 6-chloro-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylphenyl]pyridine-3-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C25H21ClN4O3S
MOLECULAR WEIGHT: 492.97724
SMILES: COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)Cl)OC
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Product OPENEYE NAME: 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CAS Name: 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
IUPAC NAME: 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
MOLECULAR FORMULA: C18H15F3N2O
MOLECULAR WEIGHT: 332.31971
SMILES: COC1=CC=C(C=C1)C2=CN(N=C2)CC3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholino-pyrimidine-2,4-dione
CAS Name: 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(4-morpholinyl)pyrimidine-2,4-dione
IUPAC NAME: 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-ylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[[2,4-bis(fluoranyl)phenyl]methyl]-3-methyl-6-morpholin-4-yl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H17F2N3O3
MOLECULAR WEIGHT: 337.321286
SMILES: CN1C(=O)C=C(N(C1=O)CC2=C(C=C(C=C2)F)F)N3CCOCC3
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Product OPENEYE NAME: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C20H19N3O2S
MOLECULAR WEIGHT: 365.44876
SMILES: CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H9ClF3N3OS
MOLECULAR WEIGHT: 395.78607
SMILES: CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)C4=CC(=C(C=C4)F)Cl)C(F)F
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Product OPENEYE NAME: 2-[(1,5-dimethylpyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-N-(o-tolyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: 2-[(1,5-dimethyl-4-pyrazolyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC NAME: 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C28H27N5O3S
MOLECULAR WEIGHT: 513.61068
SMILES: CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=C(C=C4)OC)C(=O)C(=CC5=C(N(N=C5)C)C)S3)C
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Product OPENEYE NAME: ethyl 1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
CAS Name: 1-[(1-methyl-3-pyrazolyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(1-methylpyrazol-3-yl)carbonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C13H19N3O3
MOLECULAR WEIGHT: 265.30826
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C=C2)C
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Product OPENEYE NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
CAS Name: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1-thieno[2,3-e][1,3]benzothiazol-1-iumyl]-1-propanesulfonate
IUPAC NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C28H30N2O5S4
MOLECULAR WEIGHT: 602.8082
SMILES: CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-])C=C4N(C5=C(S4)C=CC(=C5)OC)CC
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Product OPENEYE NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
CAS Name: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1-thieno[2,3-e][1,3]benzothiazol-1-iumyl]-1-propanesulfonic acid
IUPAC NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C28H31N2O5S4+
MOLECULAR WEIGHT: 603.81614
SMILES: CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)O)C=C4N(C5=C(S4)C=CC(=C5)OC)CC
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Product OPENEYE NAME: ethyl 3-[4-[4-[4-(3-ethoxy-3-oxo-propyl)phenyl]butyl]phenyl]propanoate
CAS Name: 3-[4-[4-[4-(3-ethoxy-3-oxopropyl)phenyl]butyl]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[4-[4-[4-(3-ethoxy-3-oxopropyl)phenyl]butyl]phenyl]propanoate
SYSTEMATIC NAME: ethyl 3-[4-[4-[4-(3-ethoxy-3-oxidanylidene-propyl)phenyl]butyl]phenyl]propanoate
MOLECULAR FORMULA: C26H34O4
MOLECULAR WEIGHT: 410.54576
SMILES: CCOC(=O)CCC1=CC=C(C=C1)CCCCC2=CC=C(C=C2)CCC(=O)OCC
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Product OPENEYE NAME: 1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]ethanone
CAS Name: 1-[4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]ethanone
IUPAC NAME: 1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[6-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,6-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C20H28O13
MOLECULAR WEIGHT: 476.42852
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)C)O)CO)O)O)O)O)O
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Product OPENEYE NAME: 6-phenyl-4-[(2,3,4-trimethoxyphenyl)methyleneamino]-2H-1,2,4-triazine-3,5-dione
CAS Name: 6-phenyl-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazine-3,5-dione
IUPAC NAME: 6-phenyl-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-phenyl-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C19H18N4O5
MOLECULAR WEIGHT: 382.37002
SMILES: COC1=C(C(=C(C=C1)C=NN2C(=O)C(=NNC2=O)C3=CC=CC=C3)OC)OC
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Product OPENEYE NAME: 1,1-dimethyl-3-(2,4,5-trichlorophenyl)urea
CAS Name: 1,1-dimethyl-3-(2,4,5-trichlorophenyl)urea
IUPAC NAME: 1,1-dimethyl-3-(2,4,5-trichlorophenyl)urea
SYSTEMATIC NAME: 1,1-dimethyl-3-[2,4,5-tris(chloranyl)phenyl]urea
MOLECULAR FORMULA: C9H9Cl3N2O
MOLECULAR WEIGHT: 267.53956
SMILES: CN(C)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
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All Chemical Compounds Information

2012-03-06T19:44:00.001-08:00

Product OPENEYE NAME: 1-(2-hydroxy-4-methoxy-phenyl)dodecan-1-one
CAS Name: 1-(2-hydroxy-4-methoxyphenyl)-1-dodecanone
IUPAC NAME: 1-(2-hydroxy-4-methoxyphenyl)dodecan-1-one
SYSTEMATIC NAME: 1-(4-methoxy-2-oxidanyl-phenyl)dodecan-1-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: CCCCCCCCCCCC(=O)C1=C(C=C(C=C1)OC)O
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Product OPENEYE NAME: 3-hex-5-en-2-ynoxypropanenitrile
CAS Name: 3-hex-5-en-2-ynoxypropanenitrile
IUPAC NAME: 3-hex-5-en-2-ynoxypropanenitrile
SYSTEMATIC NAME: 3-hex-5-en-2-ynoxypropanenitrile
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C=CCC#CCOCCC#N
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Product OPENEYE NAME: 5-hydroxy-2-phenyl-pyrano[3,4-e][1,3]oxazine-4,7-dione
CAS Name: 5-hydroxy-2-phenylpyrano[3,4-e][1,3]oxazine-4,7-dione
IUPAC NAME: 5-hydroxy-2-phenylpyrano[3,4-e][1,3]oxazine-4,7-dione
SYSTEMATIC NAME: 5-oxidanyl-2-phenyl-pyrano[3,4-e][1,3]oxazine-4,7-dione
MOLECULAR FORMULA: C13H7NO5
MOLECULAR WEIGHT: 257.19838
SMILES: C1=CC=C(C=C1)C2=NC(=O)C3=C(OC(=O)C=C3O2)O
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Product OPENEYE NAME: N-[[4-(N-methylanilino)phenyl]methyleneamino]-2-phenyl-thioacetamide
CAS Name: N-[[4-(N-methylanilino)phenyl]methylideneamino]-2-phenylethanethioamide
IUPAC NAME: N-[[4-(N-methylanilino)phenyl]methylideneamino]-2-phenylethanethioamide
SYSTEMATIC NAME: N-[[4-[methyl(phenyl)amino]phenyl]methylideneamino]-2-phenyl-ethanethioamide
MOLECULAR FORMULA: C22H21N3S
MOLECULAR WEIGHT: 359.48724
SMILES: CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=NNC(=S)CC3=CC=CC=C3
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Product OPENEYE NAME: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylbenzoyl)amino]phenyl] 4-tert-butylbenzoate
CAS Name: 4-tert-butylbenzoic acid [2-(1,3-benzothiazol-2-yl)-4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl] ester
IUPAC NAME: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylbenzoyl)amino]phenyl] 4-tert-butylbenzoate
SYSTEMATIC NAME: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylphenyl)carbonylamino]phenyl] 4-tert-butylbenzoate
MOLECULAR FORMULA: C35H34N2O3S
MOLECULAR WEIGHT: 562.72106
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: 1-(2-methyl-4-quinolyl)pyrrole-2,5-dione
CAS Name: 1-(2-methyl-4-quinolinyl)pyrrole-2,5-dione
IUPAC NAME: 1-(2-methylquinolin-4-yl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(2-methylquinolin-4-yl)pyrrole-2,5-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: CC1=NC2=CC=CC=C2C(=C1)N3C(=O)C=CC3=O
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Product OPENEYE NAME: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfo-phenyl)-3-oxo-isobenzofuran-1-yl]benzenesulfonate
CAS Name: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1-isobenzofuranyl]benzenesulfonate
IUPAC NAME: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
SYSTEMATIC NAME: 2-oxidanyl-5-[4,5,6,7-tetrakis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfo-phenyl)-2-benzofuran-1-yl]benzenesulfonate
MOLECULAR FORMULA: C20H9Br4O10S2-
MOLECULAR WEIGHT: 793.02546
SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)O)O
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Product OPENEYE NAME: 3-(4-chloro-3-nitro-phenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CAS Name: 3-(4-chloro-3-nitrophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide
IUPAC NAME: 3-(4-chloro-3-nitrophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-chloranyl-3-nitro-phenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MOLECULAR FORMULA: C19H16ClN3O3
MOLECULAR WEIGHT: 369.80164
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [(1-methyl-2-oxo-propylidene)amino] 5-methylhex-2-enoate
CAS Name: 5-methyl-2-hexenoic acid (3-oxobutan-2-ylideneamino) ester
IUPAC NAME: (3-oxobutan-2-ylideneamino) 5-methylhex-2-enoate
SYSTEMATIC NAME: (3-oxidanylidenebutan-2-ylideneamino) 5-methylhex-2-enoate
MOLECULAR FORMULA: C11H17NO3
MOLECULAR WEIGHT: 211.25758
SMILES: CC(C)CC=CC(=O)ON=C(C)C(=O)C
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All Chemical Compounds Information

2012-03-06T18:46:00.001-08:00

Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chlorobenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-benzamide
MOLECULAR FORMULA: C23H19ClN2OS2
MOLECULAR WEIGHT: 438.99276
SMILES: CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5Cl
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Product OPENEYE NAME: diethyl 3-methyl-5-[(2,3,5-triiodobenzoyl)amino]thiophene-2,4-dicarboxylate
CAS Name: 3-methyl-5-[[oxo-(2,3,5-triiodophenyl)methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 3-methyl-5-[(2,3,5-triiodobenzoyl)amino]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 3-methyl-5-[[2,3,5-tris(iodanyl)phenyl]carbonylamino]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C18H16I3NO5S
MOLECULAR WEIGHT: 739.10175
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC(=C2I)I)I
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Product OPENEYE NAME: 3-[6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxy-phenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
CAS Name: 3-[6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
IUPAC NAME: 3-[6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C34H25Cl2FN2O8
MOLECULAR WEIGHT: 679.475303
SMILES: COC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=CC(=C7)C(=O)O)O
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Product OPENEYE NAME: 2-benzyl-6a,9a-dichloro-6-[5-(hydroxymethyl)-2-furyl]-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-6-[5-(hydroxymethyl)-2-furanyl]-8-(2,3,4,5,6-pentafluorophenyl)-2-(phenylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-benzyl-6a,9a-dichloro-6-[5-(hydroxymethyl)furan-2-yl]-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-[5-(hydroxymethyl)furan-2-yl]-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2-(phenylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C32H21Cl2F5N2O6
MOLECULAR WEIGHT: 695.416956
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=CC=C(O4)CO)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)C6C1C(=O)N(C6=O)CC7=CC=CC=C7
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Product OPENEYE NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-6-(1-hydroxy-2-naphthyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-6-(1-hydroxy-2-naphthalenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-6-(1-hydroxynaphthalen-2-yl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-bis(chloranyl)-6-(1-oxidanylnaphthalen-2-yl)-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C38H19Cl2F11N2O5
MOLECULAR WEIGHT: 863.456295
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=C(C5=CC=CC=C5C=C4)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)C7C1C(=O)N(C7=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-(4-bromophenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-6-(3-ethoxy-2-hydroxy-phenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-bromophenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-(3-ethoxy-2-hydroxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-bromophenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-6-(3-ethoxy-2-hydroxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-(4-bromophenyl)-8-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-6a-(4-chlorophenyl)-6-(3-ethoxy-2-oxidanyl-phenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C40H30BrCl2F3N4O6
MOLECULAR WEIGHT: 870.49461
SMILES: CCOC1=CC=CC(=C1O)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)Br
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Product OPENEYE NAME: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-6-[2-hydroxy-5-(trifluoromethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-6a-(4-chlorophenyl)-6-[2-oxidanyl-5-(trifluoromethyloxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C46H29Cl2F6N5O7
MOLECULAR WEIGHT: 948.648179
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=C(C=CC(=C4)OC(F)(F)F)O)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7C1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
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Product OPENEYE NAME: 6-(2-chloro-4-hydroxy-phenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-(3-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(2-chloro-4-hydroxyphenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-(3-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(2-chloro-4-hydroxyphenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-(3-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(2-chloranyl-4-oxidanyl-phenyl)-8-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-6a-(4-chlorophenyl)-2-(3-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C38H25Cl3F3N5O7
MOLECULAR WEIGHT: 826.98861
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=C(C=C(C=C4)O)Cl)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7C1C(=O)N(C7=O)C8=CC(=CC=C8)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-[[3-chloro-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-8-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6a-(4-chlorophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C40H28BrCl3F6N6O6
MOLECULAR WEIGHT: 988.940339
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=CC(=C(C(=C6)Br)O)OC)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
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Product OPENEYE NAME: 6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-[4-[4-(dimethylamino)phenyl]azophenyl]-6-[4-(2-hydroxyethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-[4-[4-(dimethylamino)phenyl]azophenyl]-6-[4-(2-hydroxyethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-8-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-6-[4-(2-hydroxyethoxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-6a-(4-chlorophenyl)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-6-[4-(2-hydroxyethyloxy)phenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C48H40Cl2F3N7O6
MOLECULAR WEIGHT: 938.77571
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)N(C(=O)C6(C5C7=CC=C(C=C7)OCCO)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
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Product OPENEYE NAME: 2-[(4-nitrophenyl)methyl]-5-(o-tolyl)tetrazole
CAS Name: 5-(2-methylphenyl)-2-[(4-nitrophenyl)methyl]tetrazole
IUPAC NAME: 5-(2-methylphenyl)-2-[(4-nitrophenyl)methyl]tetrazole
SYSTEMATIC NAME: 5-(2-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazole
MOLECULAR FORMULA: C15H13N5O2
MOLECULAR WEIGHT: 295.29602
SMILES: CC1=CC=CC=C1C2=NN(N=N2)CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetate
CAS Name: 2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]acetate
IUPAC NAME: 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetate
SYSTEMATIC NAME: 2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C10H9N4O3S-
MOLECULAR WEIGHT: 265.26846
SMILES: COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)[O-]
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Product OPENEYE NAME: [2-(4-chlorophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CAS Name: acetic acid [2-(4-chlorophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] ester
IUPAC NAME: [2-(4-chlorophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
SYSTEMATIC NAME: [2-(4-chlorophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] ethanoate
MOLECULAR FORMULA: C20H22ClNO2
MOLECULAR WEIGHT: 343.84718
SMILES: CC1=CC2=C(C=C1)NC(C(C2OC(=O)C)(C)C)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-propyl-N-(p-tolylmethyl)tetrazol-5-amine
CAS Name: N-[(4-methylphenyl)methyl]-1-propyl-5-tetrazolamine
IUPAC NAME: N-[(4-methylphenyl)methyl]-1-propyltetrazol-5-amine
SYSTEMATIC NAME: N-[(4-methylphenyl)methyl]-1-propyl-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C12H17N5
MOLECULAR WEIGHT: 231.29688
SMILES: CCCN1C(=NN=N1)NCC2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[4-[(3-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CAS Name: N-[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[4-[(3-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-[(3-methylphenyl)carbonylamino]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: methyl 4-[[[2-(4-isopropylanilino)-2-oxo-acetyl]hydrazono]methyl]benzoate
CAS Name: 4-[[[1,2-dioxo-2-(4-propan-2-ylanilino)ethyl]hydrazinylidene]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[[2-oxo-2-(4-propan-2-ylanilino)acetyl]hydrazinylidene]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethanoyl]hydrazinylidene]methyl]benzoate
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: 2-[4-[3-(2-furyl)prop-2-enoyl]-3-hydroxy-phenoxy]acetic acid
CAS Name: 2-[4-[3-(2-furanyl)-1-oxoprop-2-enyl]-3-hydroxyphenoxy]acetic acid
IUPAC NAME: 2-[4-[3-(furan-2-yl)prop-2-enoyl]-3-hydroxyphenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[3-(furan-2-yl)prop-2-enoyl]-3-oxidanyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H12O6
MOLECULAR WEIGHT: 288.25218
SMILES: C1=COC(=C1)C=CC(=O)C2=C(C=C(C=C2)OCC(=O)O)O
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Product OPENEYE NAME: 3-[3-phenyl-3-[2-(2-pyridyl)ethylamino]propanoyl]chromen-2-one
CAS Name: 3-[1-oxo-3-phenyl-3-[2-(2-pyridinyl)ethylamino]propyl]-1-benzopyran-2-one
IUPAC NAME: 3-[3-phenyl-3-(2-pyridin-2-ylethylamino)propanoyl]chromen-2-one
SYSTEMATIC NAME: 3-[3-phenyl-3-(2-pyridin-2-ylethylamino)propanoyl]chromen-2-one
MOLECULAR FORMULA: C25H22N2O3
MOLECULAR WEIGHT: 398.45378
SMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC3=CC=CC=C3OC2=O)NCCC4=CC=CC=N4
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All Chemical Compounds Information

2012-03-06T17:46:00.001-08:00

Product OPENEYE NAME: [4-[N-[[2-(benzylamino)-2-oxo-acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl] 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid [4-[1-[[1,2-dioxo-2-[(phenylmethyl)amino]ethyl]hydrazinylidene]ethyl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[N-[[2-(benzylamino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 2-chlorobenzoate
SYSTEMATIC NAME: [2-methoxy-4-[C-methyl-N-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethanoyl]amino]carbonimidoyl]phenyl] 2-chloranylbenzoate
MOLECULAR FORMULA: C25H22ClN3O5
MOLECULAR WEIGHT: 479.91228
SMILES: CC(=NNC(=O)C(=O)NCC1=CC=CC=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-furylmethyl)thiourea
CAS Name: 3-(4-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-furanylmethyl)thiourea
IUPAC NAME: 3-(4-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C21H21ClN2O3S
MOLECULAR WEIGHT: 416.92104
SMILES: COC1=CC(=C(C=C1)OC)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[(4-isopropylphenyl)methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CAS Name: 3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]thiourea
IUPAC NAME: 3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]thiourea
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]thiourea
MOLECULAR FORMULA: C26H30N2O2S
MOLECULAR WEIGHT: 434.5936
SMILES: CC(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-yl-phenyl]-4-cyano-benzamide
CAS Name: N-[5-[(4-chlorophenyl)sulfamoyl]-2-(1-pyrrolidinyl)phenyl]-4-cyanobenzamide
IUPAC NAME: N-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-4-cyanobenzamide
SYSTEMATIC NAME: N-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-yl-phenyl]-4-cyano-benzamide
MOLECULAR FORMULA: C24H21ClN4O3S
MOLECULAR WEIGHT: 480.96654
SMILES: C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C#N
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Product OPENEYE NAME: 5-benzoyl-4-[3-(4-chlorophenoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CAS Name: 5-benzoyl-4-[3-(4-chlorophenoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
IUPAC NAME: 5-benzoyl-4-[3-(4-chlorophenoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SYSTEMATIC NAME: 4-[3-(4-chloranylphenoxy)phenyl]-6-methyl-5-(phenylcarbonyl)-3,4-dihydro-1H-pyrimidin-2-one
MOLECULAR FORMULA: C24H19ClN2O3
MOLECULAR WEIGHT: 418.87226
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 8-quinolyl 2-(4-cyanophenoxy)acetate
CAS Name: 2-(4-cyanophenoxy)acetic acid 8-quinolinyl ester
IUPAC NAME: quinolin-8-yl 2-(4-cyanophenoxy)acetate
SYSTEMATIC NAME: quinolin-8-yl 2-(4-cyanophenoxy)ethanoate
MOLECULAR FORMULA: C18H12N2O3
MOLECULAR WEIGHT: 304.29948
SMILES: C1=CC2=C(C(=C1)OC(=O)COC3=CC=C(C=C3)C#N)N=CC=C2
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Product OPENEYE NAME: 4-(2,6-difluorophenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CAS Name: 4-(2,6-difluorophenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC NAME: 4-(2,6-difluorophenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[2,6-bis(fluoranyl)phenyl]-6-methyl-2-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C19H14F5N3O2
MOLECULAR WEIGHT: 411.325376
SMILES: CC1=C(C(NC(=O)N1)C2=C(C=CC=C2F)F)C(=O)NC3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 3-(3-fluorophenyl)-N'-(p-tolylsulfonyl)prop-2-enehydrazide
CAS Name: 3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonyl-2-propenehydrazide
IUPAC NAME: 3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
SYSTEMATIC NAME: 3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonyl-prop-2-enehydrazide
MOLECULAR FORMULA: C16H15FN2O3S
MOLECULAR WEIGHT: 334.365303
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C=CC2=CC(=CC=C2)F
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Product OPENEYE NAME: N-(2-methylcyclohexyl)-2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
CAS Name: N-(2-methylcyclohexyl)-2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
IUPAC NAME: N-(2-methylcyclohexyl)-2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: 2-[8-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]-N-(2-methylcyclohexyl)ethanamide
MOLECULAR FORMULA: C18H29N3O3
MOLECULAR WEIGHT: 335.44116
SMILES: CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3CCCCC3C
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Product OPENEYE NAME: ethyl 5-carbamoyl-2-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-thiophene-3-carboxylate
CAS Name: 5-carbamoyl-2-[[[5-[(3-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-carbamoyl-2-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-aminocarbonyl-2-[[5-[(3-chloranylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C21H19ClN2O6S
MOLECULAR WEIGHT: 462.90336
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-(2-naphthyloxymethyl)-N-(3-pyridylmethyl)benzamide
CAS Name: 3-(2-naphthalenyloxymethyl)-N-(3-pyridinylmethyl)benzamide
IUPAC NAME: 3-(naphthalen-2-yloxymethyl)-N-(pyridin-3-ylmethyl)benzamide
SYSTEMATIC NAME: 3-(naphthalen-2-yloxymethyl)-N-(pyridin-3-ylmethyl)benzamide
MOLECULAR FORMULA: C24H20N2O2
MOLECULAR WEIGHT: 368.4278
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4
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Product OPENEYE NAME: methyl 4,5-dimethoxy-2-[(2-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzoate
CAS Name: 4,5-dimethoxy-2-[[(2-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4,5-dimethoxy-2-[(2-methyl-4-nitropyrazole-3-carbonyl)amino]benzoate
SYSTEMATIC NAME: methyl 4,5-dimethoxy-2-[(2-methyl-4-nitro-pyrazol-3-yl)carbonylamino]benzoate
MOLECULAR FORMULA: C15H16N4O7
MOLECULAR WEIGHT: 364.31014
SMILES: CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
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Product OPENEYE NAME: N-(3-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]benzamide
CAS Name: N-(3-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]benzamide
IUPAC NAME: N-(3-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]benzamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]benzamide
MOLECULAR FORMULA: C21H18FNO3
MOLECULAR WEIGHT: 351.370923
SMILES: COC1=CC(=CC=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-pyridyl)furan-2-carboxamide
CAS Name: 5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-(3-pyridinyl)-2-furancarboxamide
IUPAC NAME: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SYSTEMATIC NAME: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-yl-furan-2-carboxamide
MOLECULAR FORMULA: C16H16N4O2
MOLECULAR WEIGHT: 296.32384
SMILES: CC1=CC(=NN1CC2=CC=C(O2)C(=O)NC3=CN=CC=C3)C
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Product OPENEYE NAME: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
IUPAC NAME: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
SYSTEMATIC NAME: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-nitrophenyl)ethylideneamino]ethanamide
MOLECULAR FORMULA: C24H19BrN6O3S
MOLECULAR WEIGHT: 551.41506
SMILES: CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(1-bromo-2-naphthyl)oxy]-N-[(2-chloro-3-quinolyl)methyleneamino]acetamide
CAS Name: 2-[(1-bromo-2-naphthalenyl)oxy]-N-[(2-chloro-3-quinolinyl)methylideneamino]acetamide
IUPAC NAME: 2-(1-bromonaphthalen-2-yl)oxy-N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(1-bromanylnaphthalen-2-yl)oxy-N-[(2-chloranylquinolin-3-yl)methylideneamino]ethanamide
MOLECULAR FORMULA: C22H15BrClN3O2
MOLECULAR WEIGHT: 468.7304
SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl
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Product OPENEYE NAME: 2-[2-[2-(2-hydroxyethyl)-3,5-dimethoxy-phenyl]-4,5-dimethoxy-phenyl]ethanol
CAS Name: 2-[2-[2-(2-hydroxyethyl)-3,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]ethanol
IUPAC NAME: 2-[2-[2-(2-hydroxyethyl)-3,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]ethanol
SYSTEMATIC NAME: 2-[2-[2-(2-hydroxyethyl)-3,5-dimethoxy-phenyl]-4,5-dimethoxy-phenyl]ethanol
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: COC1=CC(=C(C(=C1)C2=CC(=C(C=C2CCO)OC)OC)CCO)OC
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Product OPENEYE NAME: 4-[2-(2-oxo-1,2-diphenyl-ethylidene)hydrazino]pent-3-en-2-one
CAS Name: 4-[2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-3-penten-2-one
IUPAC NAME: 4-[2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]pent-3-en-2-one
SYSTEMATIC NAME: 4-[2-(2-oxidanylidene-1,2-diphenyl-ethylidene)hydrazinyl]pent-3-en-2-one
MOLECULAR FORMULA: C19H18N2O2
MOLECULAR WEIGHT: 306.35842
SMILES: CC(=CC(=O)C)NN=C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [5-(diethylamino)-2-(2-furyl)oxazol-4-yl]-triphenyl-phosphonium
CAS Name: [5-(diethylamino)-2-(2-furanyl)-4-oxazolyl]-triphenylphosphonium
IUPAC NAME: [5-(diethylamino)-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium
SYSTEMATIC NAME: [5-(diethylamino)-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenyl-phosphanium
MOLECULAR FORMULA: C29H28N2O2P+
MOLECULAR WEIGHT: 467.518581
SMILES: CCN(CC)C1=C(N=C(O1)C2=CC=CO2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: C1CC2=C3C(=CC=C2)CCC4=CC=CC1=C4N3
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Product OPENEYE NAME: 5-benzyloxycarbonyl-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
CAS Name: 4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid
IUPAC NAME: 4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid
SYSTEMATIC NAME: 4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-2,2-diphenyl-acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-2,2-diphenylacetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-2,2-diphenylacetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C32H31N3OS2
MOLECULAR WEIGHT: 537.73804
SMILES: CC1(CC2=C(C(N1)(C)C)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C
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Product OPENEYE NAME: N'-[(4-allyloxy-3-ethoxy-phenyl)methyleneamino]-N-tert-butyl-oxamide
CAS Name: N-tert-butyl-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
IUPAC NAME: N-tert-butyl-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
SYSTEMATIC NAME: N-tert-butyl-N'-[(3-ethoxy-4-prop-2-enoxy-phenyl)methylideneamino]ethanediamide
MOLECULAR FORMULA: C18H25N3O4
MOLECULAR WEIGHT: 347.4088
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)C(=O)NC(C)(C)C)OCC=C
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Product OPENEYE NAME: 2-[(4-benzoylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CAS Name: 2-[[(4-benzoylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
IUPAC NAME: 2-[(4-benzoylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SYSTEMATIC NAME: 2-[[4-(phenylcarbonyl)phenyl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
MOLECULAR FORMULA: C24H22N2O3S
MOLECULAR WEIGHT: 418.50808
SMILES: C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
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All Chemical Compounds Information

2012-03-06T16:46:00.001-08:00

Product OPENEYE NAME: methyl 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazine-6-carboxylate
CAS Name: 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazine-6-carboxylic acid methyl ester
IUPAC NAME: methyl 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazine-6-carboxylate
SYSTEMATIC NAME: methyl 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate
MOLECULAR FORMULA: C20H18N2O5S
MOLECULAR WEIGHT: 398.43232
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)C=C(S2)C(=O)OC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-sulfamoylphenyl)thiourea
CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-sulfamoylphenyl)thiourea
IUPAC NAME: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-sulfamoylphenyl)thiourea
SYSTEMATIC NAME: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-sulfamoylphenyl)thiourea
MOLECULAR FORMULA: C15H16ClN3O2S3
MOLECULAR WEIGHT: 401.95444
SMILES: C1=CC(=CC=C1NC(=S)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)N
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Product OPENEYE NAME: methyl 4-[[2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
CAS Name: 4-[[2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C24H27N3O5S
MOLECULAR WEIGHT: 469.55328
SMILES: CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: N-[5-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-3-methyl-4-oxo-2-thioxo-imidazolidin-1-yl]-3-fluoro-benzamide
CAS Name: N-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-3-fluorobenzamide
IUPAC NAME: N-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
SYSTEMATIC NAME: N-[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-3-fluoranyl-benzamide
MOLECULAR FORMULA: C20H18ClFN4O3S
MOLECULAR WEIGHT: 448.898323
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)C)Cl
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Product OPENEYE NAME: N-[5-[2-(3-ethoxyanilino)-2-oxo-ethyl]-3-ethyl-4-oxo-2-thioxo-imidazolidin-1-yl]pyridine-3-carboxamide
CAS Name: N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-3-pyridinecarboxamide
IUPAC NAME: N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[5-[2-[(3-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C21H23N5O4S
MOLECULAR WEIGHT: 441.50342
SMILES: CCN1C(=O)C(N(C1=S)NC(=O)C2=CN=CC=C2)CC(=O)NC3=CC(=CC=C3)OCC
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Product OPENEYE NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(3-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-N-(3-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
IUPAC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(3-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-N-(3-ethoxyphenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C28H29N3O5S
MOLECULAR WEIGHT: 519.61196
SMILES: CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC(=C(C=C4)OC)OC
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Product OPENEYE NAME: ethyl 4-[[3-benzyl-6-[(2-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CAS Name: 4-[[6-[(2-fluoroanilino)-oxomethyl]-4-oxo-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[3-benzyl-6-[(2-fluorophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
MOLECULAR FORMULA: C27H24FN3O4S
MOLECULAR WEIGHT: 505.560563
SMILES: CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3F)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1-phenyl-benzimidazol-5-yl]-1,3-benzothiazole
CAS Name: 2-[3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1-phenyl-5-benzimidazolyl]-1,3-benzothiazole
IUPAC NAME: 2-[3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1-phenylbenzimidazol-5-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1-phenyl-benzimidazol-5-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C34H29N4SSe+
MOLECULAR WEIGHT: 604.64586
SMILES: CCN1C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N(C1=CC=CC5=[N+](C6=CC=CC=C6[Se]5)CC)C7=CC=CC=C7
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Product OPENEYE NAME: 2-chloro-N-[(5-chloro-2-thienyl)methyleneamino]benzamide
CAS Name: 2-chloro-N-[(5-chloro-2-thiophenyl)methylideneamino]benzamide
IUPAC NAME: 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(5-chloranylthiophen-2-yl)methylideneamino]benzamide
MOLECULAR FORMULA: C12H8Cl2N2OS
MOLECULAR WEIGHT: 299.17572
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(S2)Cl)Cl
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Product OPENEYE NAME: N-[1-(2-chlorophenyl)ethylideneamino]-2-phenyl-acetamide
CAS Name: N-[1-(2-chlorophenyl)ethylideneamino]-2-phenylacetamide
IUPAC NAME: N-[1-(2-chlorophenyl)ethylideneamino]-2-phenylacetamide
SYSTEMATIC NAME: N-[1-(2-chlorophenyl)ethylideneamino]-2-phenyl-ethanamide
MOLECULAR FORMULA: C16H15ClN2O
MOLECULAR WEIGHT: 286.7561
SMILES: CC(=NNC(=O)CC1=CC=CC=C1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 5-chloro-N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-2-methoxy-benzamide
CAS Name: 5-chloro-N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-methoxybenzamide
IUPAC NAME: 5-chloro-N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-methoxybenzamide
SYSTEMATIC NAME: 5-chloranyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-2-methoxy-benzamide
MOLECULAR FORMULA: C15H11Cl2FN2O2
MOLECULAR WEIGHT: 341.164443
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NN=CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: (5-bromo-2-furyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CAS Name: (5-bromo-2-furanyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
IUPAC NAME: (5-bromofuran-2-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SYSTEMATIC NAME: (5-bromanylfuran-2-yl)-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
MOLECULAR FORMULA: C15H13BrFNO2
MOLECULAR WEIGHT: 338.171623
SMILES: CC1CCC2=C(N1C(=O)C3=CC=C(O3)Br)C=CC(=C2)F
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Product OPENEYE NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]cyclohexanecarboxamide
CAS Name: N-[1-(3,4-dichlorophenyl)ethylideneamino]cyclohexanecarboxamide
IUPAC NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]cyclohexanecarboxamide
MOLECULAR FORMULA: C15H18Cl2N2O
MOLECULAR WEIGHT: 313.22222
SMILES: CC(=NNC(=O)C1CCCCC1)C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: isobutyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: 2-methylpropyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: CC(C)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N
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Product OPENEYE NAME: tert-butyl 4-(benzyloxymethyl)-2,5-dioxo-oxazolidine-3-carboxylate
CAS Name: 2,5-dioxo-4-(phenylmethoxymethyl)-3-oxazolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 2,5-dioxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
SYSTEMATIC NAME: tert-butyl 2,5-bis(oxidanylidene)-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
MOLECULAR FORMULA: C16H19NO6
MOLECULAR WEIGHT: 321.32516
SMILES: CC(C)(C)OC(=O)N1C(C(=O)OC1=O)COCC2=CC=CC=C2
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Product OPENEYE NAME: N-(2-ethyl-6-methyl-phenyl)-N-isopropyl-2-(2-propylbenzimidazol-1-yl)acetamide
CAS Name: N-(2-ethyl-6-methylphenyl)-N-propan-2-yl-2-(2-propyl-1-benzimidazolyl)acetamide
IUPAC NAME: N-(2-ethyl-6-methylphenyl)-N-propan-2-yl-2-(2-propylbenzimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-(2-ethyl-6-methyl-phenyl)-N-propan-2-yl-2-(2-propylbenzimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C24H31N3O
MOLECULAR WEIGHT: 377.52244
SMILES: CCCC1=NC2=CC=CC=C2N1CC(=O)N(C3=C(C=CC=C3CC)C)C(C)C
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Product OPENEYE NAME: methyl 4-[(4-ethoxybenzoyl)amino]benzoate
CAS Name: 4-[[(4-ethoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(4-ethoxybenzoyl)amino]benzoate
SYSTEMATIC NAME: methyl 4-[(4-ethoxyphenyl)carbonylamino]benzoate
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: 2,2-dichloro-N-(1,3,4-thiadiazol-2-yl)acetamide
CAS Name: 2,2-dichloro-N-(1,3,4-thiadiazol-2-yl)acetamide
IUPAC NAME: 2,2-dichloro-N-(1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-(1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C4H3Cl2N3OS
MOLECULAR WEIGHT: 212.05712
SMILES: C1=NN=C(S1)NC(=O)C(Cl)Cl
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Product OPENEYE NAME: 2-(2-benzylsulfanylethyl)-5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazole
CAS Name: 2-(1H-indol-3-ylmethyl)-5-[2-(phenylmethylthio)ethyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(2-benzylsulfanylethyl)-5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(1H-indol-3-ylmethyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C20H19N3OS
MOLECULAR WEIGHT: 349.44936
SMILES: C1=CC=C(C=C1)CSCCC2=NN=C(O2)CC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-benzaldehyde
CAS Name: 5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylbenzaldehyde
IUPAC NAME: 5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylbenzaldehyde
SYSTEMATIC NAME: 5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-benzaldehyde
MOLECULAR FORMULA: C16H14Cl2OS
MOLECULAR WEIGHT: 325.25276
SMILES: CC1=CC(=C(C=C1C=O)CSC2=C(C=CC(=C2)Cl)Cl)C
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All Chemical Compounds Information

2012-03-06T15:45:00.001-08:00

Product OPENEYE NAME: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid
CAS Name: 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-oxo-5-[(triphenylmethyl)amino]pentanoic acid
IUPAC NAME: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid
SYSTEMATIC NAME: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-5-[(triphenylmethyl)amino]pentanoic acid
MOLECULAR FORMULA: C39H34N2O5
MOLECULAR WEIGHT: 610.69766
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C70H91O70S7-7
MOLECULAR WEIGHT: 2276.88454
SMILES: CC(=O)OC1C2C(OC(C1OC(=O)C)OC3C(OC(C(C3OC(=O)C)OC(=O)C)OC4C(OC(C(C4OC(=O)C)OC(=O)C)OC5C(OC(C(C5OC(=O)C)OC(=O)C)OC6C(OC(C(C6OC(=O)C)OC(=O)C)OC7C(OC(C(C7OC(=O)C)OC(=O)C)OC8C(OC(O2)C(C8OC(=O)C)OC(=O)C)COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C70H98O70S7
MOLECULAR WEIGHT: 2283.94012
SMILES: CC(=O)OC1C2C(OC(C1OC(=O)C)OC3C(OC(C(C3OC(=O)C)OC(=O)C)OC4C(OC(C(C4OC(=O)C)OC(=O)C)OC5C(OC(C(C5OC(=O)C)OC(=O)C)OC6C(OC(C(C6OC(=O)C)OC(=O)C)OC7C(OC(C(C7OC(=O)C)OC(=O)C)OC8C(OC(O2)C(C8OC(=O)C)OC(=O)C)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O
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Product OPENEYE NAME: 1,3-dioctadecylurea
CAS Name: 1,3-dioctadecylurea
IUPAC NAME: 1,3-dioctadecylurea
SYSTEMATIC NAME: 1,3-dioctadecylurea
MOLECULAR FORMULA: C37H76N2O
MOLECULAR WEIGHT: 565.01214
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: sodium oxido-oxo-phenyl-thioxo-$l^{6}-sulfane
CAS Name: sodium oxido-oxo-phenyl-sulfanylidene-$l^{6}-sulfane
IUPAC NAME: sodium oxido-oxo-phenyl-sulfanylidene-$l^{6}-sulfane
SYSTEMATIC NAME: sodium oxidanidyl-oxidanylidene-phenyl-sulfanylidene-$l^{6}-sulfane
MOLECULAR FORMULA: C6H5NaO2S2
MOLECULAR WEIGHT: 196.22247
SMILES: C1=CC=C(C=C1)S(=O)(=S)[O-].[Na+]
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Product OPENEYE NAME: 2-(2-amino-6-chloro-purin-9-yl)acetic acid
CAS Name: 2-(2-amino-6-chloro-9-purinyl)acetic acid
IUPAC NAME: 2-(2-amino-6-chloropurin-9-yl)acetic acid
SYSTEMATIC NAME: 2-(2-azanyl-6-chloranyl-purin-9-yl)ethanoic acid
MOLECULAR FORMULA: C7H6ClN5O2
MOLECULAR WEIGHT: 227.60784
SMILES: C1=NC2=C(N1CC(=O)O)N=C(N=C2Cl)N
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Product OPENEYE NAME: 2,2,3,3,4,4,5,5-octafluoro-N-(3-morpholinopropyl)pentanamide
CAS Name: 2,2,3,3,4,4,5,5-octafluoro-N-[3-(4-morpholinyl)propyl]pentanamide
IUPAC NAME: 2,2,3,3,4,4,5,5-octafluoro-N-(3-morpholin-4-ylpropyl)pentanamide
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5-octakis(fluoranyl)-N-(3-morpholin-4-ylpropyl)pentanamide
MOLECULAR FORMULA: C12H16F8N2O2
MOLECULAR WEIGHT: 372.254866
SMILES: C1COCCN1CCCNC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: N-dodecyl-3-(2-furyl)prop-2-enamide
CAS Name: N-dodecyl-3-(2-furanyl)-2-propenamide
IUPAC NAME: N-dodecyl-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-dodecyl-3-(furan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C19H31NO2
MOLECULAR WEIGHT: 305.45494
SMILES: CCCCCCCCCCCCNC(=O)C=CC1=CC=CO1
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Product OPENEYE NAME: N-(2-chloro-3-pyridyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: N-(2-chloro-3-pyridinyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
IUPAC NAME: N-(2-chloropyridin-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: N-(2-chloranylpyridin-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C14H5ClF16N2O
MOLECULAR WEIGHT: 556.629751
SMILES: C1=CC(=C(N=C1)Cl)NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 2-hydroxy-5-(o-tolyl)benzoic acid
CAS Name: 2-hydroxy-5-(2-methylphenyl)benzoic acid
IUPAC NAME: 2-hydroxy-5-(2-methylphenyl)benzoic acid
SYSTEMATIC NAME: 5-(2-methylphenyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: CC1=CC=CC=C1C2=CC(=C(C=C2)O)C(=O)O
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All Chemical Compounds Information

2012-03-06T14:46:00.001-08:00

Product OPENEYE NAME: 3,4-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 3,4-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 3,4-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 3,4-dimethoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C19H15N3O5S
MOLECULAR WEIGHT: 397.4045
SMILES: COC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)OC
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Product OPENEYE NAME: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide
CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
IUPAC NAME: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide
MOLECULAR FORMULA: C18H12N4O6S
MOLECULAR WEIGHT: 412.37608
SMILES: COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC#C
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Product OPENEYE NAME: methyl 2-[2-(4-benzoylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[(4-benzoylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(4-benzoylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C24H18N2O4S
MOLECULAR WEIGHT: 430.47572
SMILES: COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 2-[2-(4-isopropoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-nitro-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-nitro-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-nitro-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C20H19N3O6S
MOLECULAR WEIGHT: 429.44636
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-ethoxy-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-ethoxy-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-ethoxy-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-ethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C21H17N3O6S2
MOLECULAR WEIGHT: 471.50618
SMILES: CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CC(=O)OC
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Product OPENEYE NAME: 6-(2-hydroxyphenyl)-2-(4-morpholinophenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(2-hydroxyphenyl)-2-[4-(4-morpholinyl)phenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 6-(2-hydroxyphenyl)-2-(4-morpholin-4-ylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(2-hydroxyphenyl)-2-(4-morpholin-4-ylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C44H38N2O6
MOLECULAR WEIGHT: 690.78232
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)C(=CC(=O)C6(C5C7=CC=CC=C7O)C8=CC=CC=C8)C9=CC=CC=C9
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Product OPENEYE NAME: 2-ethyl-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-ethyl-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-ethyl-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 2-ethyl-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C36H31NO5
MOLECULAR WEIGHT: 557.63504
SMILES: CCN1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)C(=CC(=O)C4(C3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: 2-(4-ethylphenyl)-6-[5-(hydroxymethyl)-2-furyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-ethylphenyl)-6-[5-(hydroxymethyl)-2-furanyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-ethylphenyl)-6-[5-(hydroxymethyl)furan-2-yl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 2-(4-ethylphenyl)-6-[5-(hydroxymethyl)furan-2-yl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C41H35NO6
MOLECULAR WEIGHT: 637.7197
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=CC=C(O6)CO)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: 4-acetyl-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
CAS Name: 4-acetyl-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
IUPAC NAME: 4-acetyl-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
SYSTEMATIC NAME: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-4-ethanoyl-benzamide
MOLECULAR FORMULA: C21H23N3O2S
MOLECULAR WEIGHT: 381.49122
SMILES: CC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C#N
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Product OPENEYE NAME: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2,3-dihydro-1,4-dioxin-5-carboxamide
IUPAC NAME: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SYSTEMATIC NAME: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
MOLECULAR FORMULA: C16H16N2O3S
MOLECULAR WEIGHT: 316.37484
SMILES: CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=COCCO3)C
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Product OPENEYE NAME: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]benzamide
CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-[4-(4-methoxy-3-methylphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methyl-phenyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C25H29N3O4S2
MOLECULAR WEIGHT: 499.64546
SMILES: CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)C
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Product OPENEYE NAME: methyl 3-(2-methoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-methoxyethyl)-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 3-(2-methoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 3-(2-methoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C23H25N3O6S2
MOLECULAR WEIGHT: 503.5911
SMILES: COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4
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Product OPENEYE NAME: 4-[butyl(methyl)sulfamoyl]-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-[butyl(methyl)sulfamoyl]-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-[butyl(methyl)sulfamoyl]-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-[butyl(methyl)sulfamoyl]-N-[6-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C22H26FN3O4S2
MOLECULAR WEIGHT: 479.587943
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCOC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H44O8
MOLECULAR WEIGHT: 580.70836
SMILES: COC1=CC=C(C=C1)COC2C3C(C(C4C2OC5(O4)CCCCC5)OCC6=CC=C(C=C6)OC)OC7(O3)CCCCC7
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Product OPENEYE NAME: 1,3-dimethyl-5-(4-phenylbut-1-en-3-ynyl)benzene
CAS Name: 1,3-dimethyl-5-(4-phenylbut-1-en-3-ynyl)benzene
IUPAC NAME: 1,3-dimethyl-5-(4-phenylbut-1-en-3-ynyl)benzene
SYSTEMATIC NAME: 1,3-dimethyl-5-(4-phenylbut-1-en-3-ynyl)benzene
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: CC1=CC(=CC(=C1)C=CC#CC2=CC=CC=C2)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CC(C)(CNC(=O)C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3)O
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Product OPENEYE NAME: N-[4-[[3-[2-[5-[[4-(dimethylamino)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CAS Name: N-[4-[[3-[2-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]phenyl]acetamide
IUPAC NAME: N-[4-[[3-[2-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[3-[2-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]phenyl]ethanamide
MOLECULAR FORMULA: C26H24N4O5S2
MOLECULAR WEIGHT: 536.62256
SMILES: CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN3C(=O)C(=CC4=CC=C(C=C4)N(C)C)SC3=O
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Product OPENEYE NAME: N-trimethylsilyl-1-trimethylsilyloxy-ethenamine
CAS Name: N-trimethylsilyl-1-trimethylsilyloxyethenamine
IUPAC NAME: N-trimethylsilyl-1-trimethylsilyloxyethenamine
SYSTEMATIC NAME: N-trimethylsilyl-1-trimethylsilyloxy-ethenamine
MOLECULAR FORMULA: C8H21NOSi2
MOLECULAR WEIGHT: 203.42944
SMILES: C[Si](C)(C)NC(=C)O[Si](C)(C)C
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All Chemical Compounds Information

2012-03-06T13:46:00.001-08:00

Product OPENEYE NAME: 1-(2-furylmethyl)-1-(3-morpholinopropyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-[(4-methylphenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C21H29N3O2S
MOLECULAR WEIGHT: 387.53886
SMILES: CC1=CC=C(C=C1)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CO3
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Product OPENEYE NAME: 3-(3,4-dichlorophenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea
CAS Name: 3-(3,4-dichlorophenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea
IUPAC NAME: 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C20H24Cl2N4OS
MOLECULAR WEIGHT: 439.40176
SMILES: C1COCCN1CCCN(CC2=CC=NC=C2)C(=S)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 4-(2,4-dichlorophenoxy)-N-[(4-ethoxyphenyl)methyleneamino]butanamide
CAS Name: 4-(2,4-dichlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]butanamide
IUPAC NAME: 4-(2,4-dichlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]butanamide
SYSTEMATIC NAME: 4-[2,4-bis(chloranyl)phenoxy]-N-[(4-ethoxyphenyl)methylideneamino]butanamide
MOLECULAR FORMULA: C19H20Cl2N2O3
MOLECULAR WEIGHT: 395.2797
SMILES: CCOC1=CC=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-(2-phenylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-6-tert-butyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C28H31BrN2O2S
MOLECULAR WEIGHT: 539.52694
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCCC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: 6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-N-(2-methoxyphenyl)-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C23H30N2O3S
MOLECULAR WEIGHT: 414.5609
SMILES: CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=CC=C3OC
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Product OPENEYE NAME: 2-methoxyethyl 6-[4-[(3-methoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CAS Name: 6-[4-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl 6-[4-[(3-methoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
SYSTEMATIC NAME: 2-methoxyethyl 6-[4-[(3-methoxyphenyl)carbonylamino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
MOLECULAR FORMULA: C26H29N3O5S
MOLECULAR WEIGHT: 495.59056
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C(=O)OCCOC
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Product OPENEYE NAME: 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-N,N,8-trimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 6-[4-[[(2-ethoxyanilino)-oxomethyl]amino]phenyl]-N,N,8-trimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-N,N,8-trimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-N,N,8-trimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C26H31N5O3S
MOLECULAR WEIGHT: 493.62104
SMILES: CCOC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3C(=C(N=C4N3CCCS4)C)C(=O)N(C)C
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Product OPENEYE NAME: 2-[2-[5-[(4-methoxyphenyl)methylene]-4-oxo-2-phenylimino-thiazolidin-3-yl]-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[2-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-3-thiazolidinyl]-2-oxoethyl]isoindole-1,3-dione
IUPAC NAME: 2-[2-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-oxoethyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-[5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione
MOLECULAR FORMULA: C27H19N3O5S
MOLECULAR WEIGHT: 497.52186
SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: 1-[1-(bromomethyl)tridecyl]pyridin-1-ium
CAS Name: 1-(1-bromotetradecan-2-yl)pyridin-1-ium
IUPAC NAME: 1-(1-bromotetradecan-2-yl)pyridin-1-ium
SYSTEMATIC NAME: 1-(1-bromanyltetradecan-2-yl)pyridin-1-ium
MOLECULAR FORMULA: C19H33BrN+
MOLECULAR WEIGHT: 355.37602
SMILES: CCCCCCCCCCCCC(CBr)[N+]1=CC=CC=C1
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Product OPENEYE NAME: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone
CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone
IUPAC NAME: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C26H23N2O3+
MOLECULAR WEIGHT: 411.47242
SMILES: COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)OC
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Product OPENEYE NAME: 3-[3-(4-isopropylphenyl)-6-oxo-pyridazin-1-yl]propanenitrile
CAS Name: 3-[6-oxo-3-(4-propan-2-ylphenyl)-1-pyridazinyl]propanenitrile
IUPAC NAME: 3-[6-oxo-3-(4-propan-2-ylphenyl)pyridazin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[6-oxidanylidene-3-(4-propan-2-ylphenyl)pyridazin-1-yl]propanenitrile
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CC(C)C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC#N
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Product OPENEYE NAME: 3-(4-ethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CAS Name: 3-(4-ethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
IUPAC NAME: 3-(4-ethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C22H24N4O5
MOLECULAR WEIGHT: 424.44976
SMILES: CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=C(C(=C(C=C3)OC)OC)OC
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Product OPENEYE NAME: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N'-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]oxamide
CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]oxamide
IUPAC NAME: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
SYSTEMATIC NAME: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]ethanediamide
MOLECULAR FORMULA: C27H21FN6O2S
MOLECULAR WEIGHT: 512.558043
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NN=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C#N
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Product OPENEYE NAME: N'-[(5-allyloxy-2-bromo-phenyl)methyleneamino]-N-(4-fluorophenyl)oxamide
CAS Name: N'-[(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
IUPAC NAME: N'-[(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SYSTEMATIC NAME: N'-[(2-bromanyl-5-prop-2-enoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)ethanediamide
MOLECULAR FORMULA: C18H15BrFN3O3
MOLECULAR WEIGHT: 420.232403
SMILES: C=CCOC1=CC(=C(C=C1)Br)C=NNC(=O)C(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-[(2-benzylsulfanylacetyl)amino]-N-isopropyl-benzamide
CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-N-propan-2-ylbenzamide
IUPAC NAME: 2-[(2-benzylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 2-[2-(phenylmethylsulfanyl)ethanoylamino]-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C19H22N2O2S
MOLECULAR WEIGHT: 342.45518
SMILES: CC(C)NC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=CC=C2
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Product OPENEYE NAME: N-[(5-nitro-2-furyl)methyleneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CAS Name: N-[(5-nitro-2-furanyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
IUPAC NAME: N-[(5-nitrofuran-2-yl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
SYSTEMATIC NAME: N-[(5-nitrofuran-2-yl)methylideneamino]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine
MOLECULAR FORMULA: C12H8N4O5S
MOLECULAR WEIGHT: 320.28072
SMILES: C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=C(O3)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetate
CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid methyl ester
IUPAC NAME: methyl 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
SYSTEMATIC NAME: methyl 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate
MOLECULAR FORMULA: C18H21NO4S
MOLECULAR WEIGHT: 347.42864
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: [2-methoxy-4-[C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [2-methoxy-4-[1-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [2-methoxy-4-[C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C21H18ClN5O6
MOLECULAR WEIGHT: 471.85052
SMILES: CC(=NNC(=O)CN1C=C(C=N1)[N+](=O)[O-])C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
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Product OPENEYE NAME: N'-[[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methyleneamino]-N-(2-methoxyphenyl)oxamide
CAS Name: N'-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
IUPAC NAME: N'-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
SYSTEMATIC NAME: N'-[[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methylideneamino]-N-(2-methoxyphenyl)ethanediamide
MOLECULAR FORMULA: C25H24N4O7
MOLECULAR WEIGHT: 492.48066
SMILES: CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3OC)OC)[N+](=O)[O-]
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Product OPENEYE NAME: [3-[[[2-(2,4-dimethylanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] 4-methylbenzoate
CAS Name: 4-methylbenzoic acid [3-[[[2-(2,4-dimethylanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [3-[[[2-(2,4-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
SYSTEMATIC NAME: [3-[[[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
MOLECULAR FORMULA: C25H23N3O4
MOLECULAR WEIGHT: 429.46782
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C(=O)NC3=C(C=C(C=C3)C)C
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Product OPENEYE NAME: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(3-hydroxyphenyl)methyleneamino]acetamide
CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
IUPAC NAME: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C14H15BrN4O2
MOLECULAR WEIGHT: 351.1985
SMILES: CC1=C(C(=NN1CC(=O)NN=CC2=CC(=CC=C2)O)C)Br
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Product OPENEYE NAME: N-(6-acetamido-3-allyl-1,3-benzothiazol-2-ylidene)-4-[ethyl(phenyl)sulfamoyl]benzamide
CAS Name: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[ethyl(phenyl)sulfamoyl]benzamide
IUPAC NAME: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[ethyl(phenyl)sulfamoyl]benzamide
SYSTEMATIC NAME: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[ethyl(phenyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C27H26N4O4S2
MOLECULAR WEIGHT: 534.64974
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC=C
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Product OPENEYE NAME: methyl 3-prop-2-ynyl-2-(tetralin-6-carbonylimino)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C23H20N2O3S
MOLECULAR WEIGHT: 404.4815
SMILES: COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC#C
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All Chemical Compounds Information

2012-03-06T12:45:00.001-08:00

Product OPENEYE NAME: N-(3,4-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3,4-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3,4-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H14Cl2FN3O2S
MOLECULAR WEIGHT: 462.324163
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 3-(4-benzyloxyphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile
CAS Name: 2-(4-methylphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)-2-propenenitrile
IUPAC NAME: 2-(4-methylphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C23H19NO3S
MOLECULAR WEIGHT: 389.46686
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N
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Product OPENEYE NAME: 3-methoxy-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide
CAS Name: 3-methoxy-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 3-methoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-methoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H20N2O2S
MOLECULAR WEIGHT: 352.45
SMILES: CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-methyl-propanamide
CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-methylpropanamide
IUPAC NAME: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C15H18N2O3S
MOLECULAR WEIGHT: 306.38002
SMILES: CC(C)C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: 3-(trifluoromethyl)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide
CAS Name: 3-(trifluoromethyl)-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]benzamide
IUPAC NAME: 3-(trifluoromethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-(trifluoromethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H17F3N2OS
MOLECULAR WEIGHT: 390.42199
SMILES: CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C
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Product OPENEYE NAME: 2-(4-chlorophenoxy)-N-(4,5-diphenylthiazol-2-yl)acetamide
CAS Name: 2-(4-chlorophenoxy)-N-(4,5-diphenyl-2-thiazolyl)acetamide
IUPAC NAME: 2-(4-chlorophenoxy)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-(4,5-diphenyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C23H17ClN2O2S
MOLECULAR WEIGHT: 420.91128
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
CAS Name: N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
IUPAC NAME: N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
MOLECULAR FORMULA: C25H21N3O2S
MOLECULAR WEIGHT: 427.51814
SMILES: COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)thiazol-2-yl]prop-2-enamide
CAS Name: 3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-2-thiazolyl]-2-propenamide
IUPAC NAME: 3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
MOLECULAR FORMULA: C21H19N3O4S
MOLECULAR WEIGHT: 409.45826
SMILES: CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-[[5-[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[[5-[[(3,5-dimethoxyphenyl)carbonylamino]methyl]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C33H37N5O6S2
MOLECULAR WEIGHT: 663.80678
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=C(C=CC(=C4)C)C)CNC(=O)C5=CC(=CC(=C5)OC)OC
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Product OPENEYE NAME: ethyl 2-[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-[[4-(2-methoxyphenyl)-5-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[[4-(2-methoxyphenyl)-5-[[(2-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C31H33N5O6S2
MOLECULAR WEIGHT: 635.75362
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=CC=C5OC
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Product OPENEYE NAME: methyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CAS Name: 2-[[[4-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H21N3O5S
MOLECULAR WEIGHT: 427.47354
SMILES: CN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
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Product OPENEYE NAME: 6-isopropyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC NAME: 6-propan-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SYSTEMATIC NAME: 6-propan-2-yl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C21H27N3O5S
MOLECULAR WEIGHT: 433.52118
SMILES: CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: N-[3-[4-(1,3-benzodioxol-5-yl)-5-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide
CAS Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-[[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide
IUPAC NAME: N-[3-[4-(1,3-benzodioxol-5-yl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide
SYSTEMATIC NAME: N-[3-[4-(1,3-benzodioxol-5-yl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide
MOLECULAR FORMULA: C26H29N5O7S2
MOLECULAR WEIGHT: 587.66776
SMILES: CC(=O)NCCCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
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All Chemical Compounds Information

2012-03-06T11:45:00.001-08:00

Product OPENEYE NAME: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester
IUPAC NAME: [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: [2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C23H24N2O8S
MOLECULAR WEIGHT: 488.51026
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C
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Product OPENEYE NAME: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CAS Name: 2-[2-[(2,4-dichlorophenoxy)methyl]-1-benzimidazolyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
IUPAC NAME: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SYSTEMATIC NAME: 2-[2-[[2,4-bis(chloranyl)phenoxy]methyl]benzimidazol-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
MOLECULAR FORMULA: C25H21Cl2N3O2
MOLECULAR WEIGHT: 466.35914
SMILES: C1CN(CC2=CC=CC=C21)C(=O)CN3C4=CC=CC=C4N=C3COC5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: N-(4-chloro-3-nitro-phenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CAS Name: N-(4-chloro-3-nitrophenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
IUPAC NAME: N-(4-chloro-3-nitrophenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
SYSTEMATIC NAME: N-(4-chloranyl-3-nitro-phenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
MOLECULAR FORMULA: C21H17ClN2O5
MOLECULAR WEIGHT: 412.82308
SMILES: COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-chloro-2-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H17ClFN3O2S
MOLECULAR WEIGHT: 441.905683
SMILES: CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C
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Product OPENEYE NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylphenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H18FN3O2S
MOLECULAR WEIGHT: 407.460623
SMILES: CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C
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Product OPENEYE NAME: N-cyclohexyl-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-cyclohexyl-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-cyclohexyl-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H22FN3O2S
MOLECULAR WEIGHT: 399.481683
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4CCCCC4
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Product OPENEYE NAME: N-(3-chloro-4-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H17ClFN3O2S
MOLECULAR WEIGHT: 441.905683
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C)Cl
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Product OPENEYE NAME: N-(3-fluoro-4-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3-fluoro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3-fluoro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3-fluoranyl-4-methyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H17F2N3O2S
MOLECULAR WEIGHT: 425.451086
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C)F
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H14ClF2N3O2S
MOLECULAR WEIGHT: 445.869566
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC(=C(C=C4)F)Cl
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Product OPENEYE NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C27H20FN3O3S
MOLECULAR WEIGHT: 485.529403
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: N-(2,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(2,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C23H20FN3O4S
MOLECULAR WEIGHT: 453.486003
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=C(C=C(C=C4)OC)OC
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H14F3N3O2S
MOLECULAR WEIGHT: 429.41497
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=C(C=C(C=C4)F)F
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Product OPENEYE NAME: N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C23H20FN3O2S
MOLECULAR WEIGHT: 421.487203
SMILES: CC1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C)C
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Product OPENEYE NAME: N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[4-(4-chloranylphenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C27H19ClFN3O3S
MOLECULAR WEIGHT: 519.974463
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl
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All Chemical Compounds Information

2012-03-06T10:46:00.001-08:00

Product OPENEYE NAME: 4-[ethyl(phenyl)sulfamoyl]-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]benzamide
CAS Name: 4-[ethyl(phenyl)sulfamoyl]-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]benzamide
IUPAC NAME: 4-[ethyl(phenyl)sulfamoyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[ethyl(phenyl)sulfamoyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C24H20N4O7S3
MOLECULAR WEIGHT: 572.6332
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(dipropylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-(dipropylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-(dipropylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-(dipropylsulfamoyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C24H31N3O4S2
MOLECULAR WEIGHT: 489.65064
SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCOC
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Product OPENEYE NAME: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
CAS Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
IUPAC NAME: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
SYSTEMATIC NAME: N-[6-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
MOLECULAR FORMULA: C25H32ClN3O4S2
MOLECULAR WEIGHT: 538.12228
SMILES: CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCOC
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Product OPENEYE NAME: 4-(diallylsulfamoyl)-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C23H26N4O6S3
MOLECULAR WEIGHT: 550.67074
SMILES: COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC=C)CC=C
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Product OPENEYE NAME: ethyl 3-(2-ethoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-ethoxyethyl)-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-ethoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-ethoxyethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C19H20N2O4S2
MOLECULAR WEIGHT: 404.5031
SMILES: CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
IUPAC NAME: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide
MOLECULAR FORMULA: C17H18BrN3O4S
MOLECULAR WEIGHT: 440.31152
SMILES: CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CN3C(=O)CCC3=O
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Product OPENEYE NAME: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-thienyl)prop-2-enamide
CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-yl-2-propenamide
IUPAC NAME: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
SYSTEMATIC NAME: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-yl-prop-2-enamide
MOLECULAR FORMULA: C20H21N3O3S2
MOLECULAR WEIGHT: 415.52904
SMILES: CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C=CC3=CC=CS3
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Product OPENEYE NAME: ethyl 3-allyl-2-(2-fluorobenzoyl)imino-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[(2-fluorophenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2-fluorobenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-fluorophenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C20H17FN2O3S
MOLECULAR WEIGHT: 384.423983
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3F)S2)CC=C
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Product OPENEYE NAME: N-(3-allyl-6-fluoro-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CAS Name: N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
IUPAC NAME: N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SYSTEMATIC NAME: N-(6-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
MOLECULAR FORMULA: C17H19FN2OS
MOLECULAR WEIGHT: 318.408963
SMILES: C=CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3CCCCC3
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Product OPENEYE NAME: [3-(adamantane-1-carbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate
CAS Name: 1-adamantanecarboxylic acid [3-[[1-adamantyl(oxo)methoxy]methyl]-5,7-dimethyl-1-adamantyl]methyl ester
IUPAC NAME: [3-(adamantane-1-carbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate
SYSTEMATIC NAME: [3-(1-adamantylcarbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate
MOLECULAR FORMULA: C36H52O4
MOLECULAR WEIGHT: 548.79568
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)COC(=O)C45CC6CC(C4)CC(C6)C5)COC(=O)C78CC9CC(C7)CC(C9)C8)C
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Product OPENEYE NAME: [[2-morpholino-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-phenyl-methyl] benzoate
CAS Name: benzoic acid [[2-(4-morpholinyl)-3-[(2-nitrophenyl)thio]-1-cyclohex-2-enylidene]-phenylmethyl] ester
IUPAC NAME: [[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanylcyclohex-2-en-1-ylidene]-phenylmethyl] benzoate
SYSTEMATIC NAME: [[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-phenyl-methyl] benzoate
MOLECULAR FORMULA: C30H28N2O5S
MOLECULAR WEIGHT: 528.61872
SMILES: C1CC(=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C1)N4CCOCC4)SC5=CC=CC=C5[N+](=O)[O-]
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Product OPENEYE NAME: [[3-(2-nitrophenyl)sulfanyl-2-oxo-cyclohexylidene]-phenyl-methyl] benzoate
CAS Name: benzoic acid [[3-[(2-nitrophenyl)thio]-2-oxocyclohexylidene]-phenylmethyl] ester
IUPAC NAME: [[3-(2-nitrophenyl)sulfanyl-2-oxocyclohexylidene]-phenylmethyl] benzoate
SYSTEMATIC NAME: [[3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexylidene]-phenyl-methyl] benzoate
MOLECULAR FORMULA: C26H21NO5S
MOLECULAR WEIGHT: 459.51364
SMILES: C1CC(C(=O)C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C1)SC4=CC=CC=C4[N+](=O)[O-]
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Product OPENEYE NAME: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate
CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate
SYSTEMATIC NAME: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate
MOLECULAR FORMULA: C21H10ClNO7S
MOLECULAR WEIGHT: 455.8246
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)C4=CC=C(S4)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-2-[2-(4-methoxyphenyl)imino-3-(3-morpholinopropyl)-4-oxo-thiazolidin-5-yl]acetamide
CAS Name: N-(2,4-difluorophenyl)-2-[2-(4-methoxyphenyl)imino-3-[3-(4-morpholinyl)propyl]-4-oxo-5-thiazolidinyl]acetamide
IUPAC NAME: N-(2,4-difluorophenyl)-2-[2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2-[2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanamide
MOLECULAR FORMULA: C25H28F2N4O4S
MOLECULAR WEIGHT: 518.576026
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)F)F)CCCN4CCOCC4
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Product OPENEYE NAME: 2-tert-butyl-4-[[3-[(2-tert-butyl-9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CAS Name: 2-tert-butyl-4-[[3-[(2-tert-butyl-9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
IUPAC NAME: 2-tert-butyl-4-[[3-[(2-tert-butyl-9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SYSTEMATIC NAME: 2-tert-butyl-4-[[3-[(2-tert-butyl-9-carboxy-2,3-dihydro-1H-acridin-4-ylidene)methyl]phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
MOLECULAR FORMULA: C44H44N2O4
MOLECULAR WEIGHT: 664.83116
SMILES: CC(C)(C)C1CC(=CC2=CC(=CC=C2)C=C3CC(CC4=C(C5=CC=CC=C5N=C34)C(=O)O)C(C)(C)C)C6=NC7=CC=CC=C7C(=C6C1)C(=O)O
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Product OPENEYE NAME: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester
IUPAC NAME: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-chloropyridine-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranylpyridine-3-carboxylate
MOLECULAR FORMULA: C19H20ClN3O5S
MOLECULAR WEIGHT: 437.8972
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl
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Product OPENEYE NAME: N-(3-chloro-2-methyl-phenyl)-2-[3-(1,4-dimethylpentyl)-2-(1-naphthylimino)-4-oxo-thiazolidin-5-yl]acetamide
CAS Name: N-(3-chloro-2-methylphenyl)-2-[3-(5-methylhexan-2-yl)-2-(1-naphthalenylimino)-4-oxo-5-thiazolidinyl]acetamide
IUPAC NAME: N-(3-chloro-2-methylphenyl)-2-[3-(5-methylhexan-2-yl)-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-2-[3-(5-methylhexan-2-yl)-2-naphthalen-1-ylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanamide
MOLECULAR FORMULA: C29H32ClN3O2S
MOLECULAR WEIGHT: 522.10128
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C(C)CCC(C)C
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All Chemical Compounds Information

2012-03-06T09:46:00.001-08:00

Product OPENEYE NAME: 3-(4-chloro-3-methoxy-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea
CAS Name: 3-(4-chloro-3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[2-(4-morpholinyl)ethyl]thiourea
IUPAC NAME: 3-(4-chloro-3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 3-(4-chloranyl-3-methoxy-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
MOLECULAR FORMULA: C22H28ClN3O3S
MOLECULAR WEIGHT: 449.99402
SMILES: COC1=CC=C(C=C1)CN(CCN2CCOCC2)C(=S)NC3=CC(=C(C=C3)Cl)OC
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Product OPENEYE NAME: 1-(2-furylmethyl)-1-(1-methyl-4-piperidyl)-3-octyl-thiourea
CAS Name: 1-(2-furanylmethyl)-1-(1-methyl-4-piperidinyl)-3-octylthiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-octylthiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-octyl-thiourea
MOLECULAR FORMULA: C20H35N3OS
MOLECULAR WEIGHT: 365.5764
SMILES: CCCCCCCCNC(=S)N(CC1=CC=CO1)C2CCN(CC2)C
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Product OPENEYE NAME: 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-N-(1-phenylethylideneamino)acetamide
CAS Name: 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-N-(1-phenylethylideneamino)acetamide
IUPAC NAME: 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-N-(1-phenylethylideneamino)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-(1-phenylethylideneamino)ethanamide
MOLECULAR FORMULA: C14H16N6O3
MOLECULAR WEIGHT: 316.31524
SMILES: CC(=NNC(=O)CN1C2C(NC(=O)N2)NC1=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2-hydroxy-5-nitro-phenyl)-2-methoxy-5-nitro-benzamide
CAS Name: N-(2-hydroxy-5-nitrophenyl)-2-methoxy-5-nitrobenzamide
IUPAC NAME: N-(2-hydroxy-5-nitrophenyl)-2-methoxy-5-nitrobenzamide
SYSTEMATIC NAME: 2-methoxy-5-nitro-N-(5-nitro-2-oxidanyl-phenyl)benzamide
MOLECULAR FORMULA: C14H11N3O7
MOLECULAR WEIGHT: 333.25304
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide
CAS Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-phenylpropanamide
IUPAC NAME: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylpropanamide
SYSTEMATIC NAME: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide
MOLECULAR FORMULA: C17H17N3O2S
MOLECULAR WEIGHT: 327.40078
SMILES: COC1=CC2=C(C=C1)N=C(N2)SCCC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 6-tert-butyl-2-[(2-fluorobenzoyl)amino]-N-(1-naphthyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-2-[[(2-fluorophenyl)-oxomethyl]amino]-N-(1-naphthalenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-2-[(2-fluorobenzoyl)amino]-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-2-[(2-fluorophenyl)carbonylamino]-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C30H29FN2O2S
MOLECULAR WEIGHT: 500.626863
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5F
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Product OPENEYE NAME: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-yl]benzohydrazide
CAS Name: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-yl]benzohydrazide
IUPAC NAME: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]benzohydrazide
SYSTEMATIC NAME: 2-bromanyl-N'-[5-(iodanylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]benzohydrazide
MOLECULAR FORMULA: C11H12BrIN3OS+
MOLECULAR WEIGHT: 441.10595
SMILES: C1C(SC(=[NH+]1)NNC(=O)C2=CC=CC=C2Br)CI
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Product OPENEYE NAME: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydrothiazol-2-yl]benzohydrazide
CAS Name: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydrothiazol-2-yl]benzohydrazide
IUPAC NAME: 2-bromo-N'-[5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
SYSTEMATIC NAME: 2-bromanyl-N'-[5-(iodanylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]benzohydrazide
MOLECULAR FORMULA: C11H11BrIN3OS
MOLECULAR WEIGHT: 440.09801
SMILES: C1C(SC(=N1)NNC(=O)C2=CC=CC=C2Br)CI
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Product OPENEYE NAME: 2,5-dichloro-N-[4-(diethylamino)phenyl]benzamide
CAS Name: 2,5-dichloro-N-[4-(diethylamino)phenyl]benzamide
IUPAC NAME: 2,5-dichloro-N-[4-(diethylamino)phenyl]benzamide
SYSTEMATIC NAME: 2,5-bis(chloranyl)-N-[4-(diethylamino)phenyl]benzamide
MOLECULAR FORMULA: C17H18Cl2N2O
MOLECULAR WEIGHT: 337.24362
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: [2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methyl]amino]methyl]thiazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CAS Name: [2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-thiazolyl]-(4-ethyl-1-piperazinyl)methanone
IUPAC NAME: [2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C29H38N4O4S
MOLECULAR WEIGHT: 538.70142
SMILES: CCN1CCN(CC1)C(=O)C2=CSC(=N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-(2-methylfuran-3-carbonyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide
CAS Name: 1-[(2-methyl-3-furanyl)-oxomethyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide
IUPAC NAME: 1-(2-methylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: 1-(2-methylfuran-3-yl)carbonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C18H21N3O3
MOLECULAR WEIGHT: 327.37764
SMILES: CC1=C(C=CO1)C(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=N3
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Product OPENEYE NAME: N-[2-[[4-[2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CAS Name: 3,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl]-2-thiazolyl]amino]ethyl]benzamide
IUPAC NAME: N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-(2-methoxyethyl)-N-[2-oxidanylidene-2-[[4-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
MOLECULAR FORMULA: C29H33Cl2N5O4S
MOLECULAR WEIGHT: 618.57442
SMILES: COCCN(CC(=O)NC1=NC(=CS1)CC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: [2-(4-benzyloxyphenyl)thiazolidin-3-yl]-(2-furyl)methanone
CAS Name: 2-furanyl-[2-(4-phenylmethoxyphenyl)-3-thiazolidinyl]methanone
IUPAC NAME: furan-2-yl-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SYSTEMATIC NAME: furan-2-yl-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
MOLECULAR FORMULA: C21H19NO3S
MOLECULAR WEIGHT: 365.44546
SMILES: C1CSC(N1C(=O)C2=CC=CO2)C3=CC=C(C=C3)OCC4=CC=CC=C4
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Product OPENEYE NAME: [2-(4-isopropylphenyl)thiazolidin-3-yl]-(3-nitrophenyl)methanone
CAS Name: (3-nitrophenyl)-[2-(4-propan-2-ylphenyl)-3-thiazolidinyl]methanone
IUPAC NAME: (3-nitrophenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
SYSTEMATIC NAME: (3-nitrophenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
MOLECULAR FORMULA: C19H20N2O3S
MOLECULAR WEIGHT: 356.4387
SMILES: CC(C)C1=CC=C(C=C1)C2N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,6-diisopropylphenyl)-2-(2-thienyl)thiazolidine-3-carboxamide
CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-thiophen-2-yl-3-thiazolidinecarboxamide
IUPAC NAME: N-[2,6-di(propan-2-yl)phenyl]-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
SYSTEMATIC NAME: N-[2,6-di(propan-2-yl)phenyl]-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
MOLECULAR FORMULA: C20H26N2OS2
MOLECULAR WEIGHT: 374.56324
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N2CCSC2C3=CC=CS3
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Product OPENEYE NAME: N-(4-methylsulfanylphenyl)-2-(3-pyridyl)thiazolidine-3-carboxamide
CAS Name: N-[4-(methylthio)phenyl]-2-(3-pyridinyl)-3-thiazolidinecarboxamide
IUPAC NAME: N-(4-methylsulfanylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
SYSTEMATIC NAME: N-(4-methylsulfanylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
MOLECULAR FORMULA: C16H17N3OS2
MOLECULAR WEIGHT: 331.45568
SMILES: CSC1=CC=C(C=C1)NC(=O)N2CCSC2C3=CN=CC=C3
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Product OPENEYE NAME: N-isopentyl-N-[3-oxo-3-[2-(2-pyridyl)ethylamino]propyl]furan-3-carboxamide
CAS Name: N-(3-methylbutyl)-N-[3-oxo-3-[2-(2-pyridinyl)ethylamino]propyl]-3-furancarboxamide
IUPAC NAME: N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
SYSTEMATIC NAME: N-(3-methylbutyl)-N-[3-oxidanylidene-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
MOLECULAR FORMULA: C20H27N3O3
MOLECULAR WEIGHT: 357.44668
SMILES: CC(C)CCN(CCC(=O)NCCC1=CC=CC=N1)C(=O)C2=COC=C2
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Product OPENEYE NAME: N-(1-adamantyl)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CAS Name: N-(1-adamantyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
IUPAC NAME: N-(1-adamantyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-(1-adamantyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C25H31N3O
MOLECULAR WEIGHT: 389.53314
SMILES: CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=O)NC45CC6CC(C4)CC(C6)C5
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Product OPENEYE NAME: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-(2-furylmethyl)-5-methyl-pyrazine-2-carboxamide
CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(2-furanylmethyl)-5-methyl-2-pyrazinecarboxamide
IUPAC NAME: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-(furan-2-ylmethyl)-5-methyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C22H22N4O5
MOLECULAR WEIGHT: 422.43388
SMILES: CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CO4
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Product OPENEYE NAME: N-(2-furylmethyl)-N-[3-(hexylamino)-3-oxo-propyl]pyrazine-2-carboxamide
CAS Name: N-(2-furanylmethyl)-N-[3-(hexylamino)-3-oxopropyl]-2-pyrazinecarboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-N-[3-(hexylamino)-3-oxopropyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-[3-(hexylamino)-3-oxidanylidene-propyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C19H26N4O3
MOLECULAR WEIGHT: 358.43474
SMILES: CCCCCCNC(=O)CCN(CC1=CC=CO1)C(=O)C2=NC=CN=C2
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Product OPENEYE NAME: 3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-pentyl-propanamide
CAS Name: 3-(3-methoxyphenyl)-3-(8-methyl-3-imidazo[1,2-a]pyridinyl)-N-pentylpropanamide
IUPAC NAME: 3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-pentylpropanamide
SYSTEMATIC NAME: 3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-pentyl-propanamide
MOLECULAR FORMULA: C23H29N3O2
MOLECULAR WEIGHT: 379.49526
SMILES: CCCCCNC(=O)CC(C1=CC(=CC=C1)OC)C2=CN=C3N2C=CC=C3C
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Product OPENEYE NAME: ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[(3-methoxynaphthalen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C22H18N2O4S
MOLECULAR WEIGHT: 406.45432
SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=CC=CC=C4C=C3OC
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All Chemical Compounds Information

2012-03-06T08:45:00.001-08:00

Product OPENEYE NAME: 3-(3-nitrophenyl)-N-[3-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenylazo-phenyl]prop-2-enamide
CAS Name: 3-(3-nitrophenyl)-N-[3-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-phenyldiazenylphenyl]-2-propenamide
IUPAC NAME: 3-(3-nitrophenyl)-N-[3-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyldiazenylphenyl]prop-2-enamide
SYSTEMATIC NAME: 3-(3-nitrophenyl)-N-[3-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyldiazenyl-phenyl]prop-2-enamide
MOLECULAR FORMULA: C30H22N6O6
MOLECULAR WEIGHT: 562.53228
SMILES: C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N,N'-bis(3-chloro-4-fluoro-phenyl)-2,2,3,3,4,4,5,5-octafluoro-hexanediamide
CAS Name: N,N'-bis(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
IUPAC NAME: N,N'-bis(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
SYSTEMATIC NAME: N,N'-bis(3-chloranyl-4-fluoranyl-phenyl)-2,2,3,3,4,4,5,5-octakis(fluoranyl)hexanediamide
MOLECULAR FORMULA: C18H8Cl2F10N2O2
MOLECULAR WEIGHT: 545.158352
SMILES: C1=CC(=C(C=C1NC(=O)C(C(C(C(C(=O)NC2=CC(=C(C=C2)F)Cl)(F)F)(F)F)(F)F)(F)F)Cl)F
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Product OPENEYE NAME: 3-phenyl-N-[3-(3-phenylpropanoylamino)propyl]propanamide
CAS Name: N-[3-[(1-oxo-3-phenylpropyl)amino]propyl]-3-phenylpropanamide
IUPAC NAME: 3-phenyl-N-[3-(3-phenylpropanoylamino)propyl]propanamide
SYSTEMATIC NAME: 3-phenyl-N-[3-(3-phenylpropanoylamino)propyl]propanamide
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: C1=CC=C(C=C1)CCC(=O)NCCCNC(=O)CCC2=CC=CC=C2
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-3-methyl-phenyl]-2-methyl-phenyl]prop-2-enamide
CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methylphenyl]-2-methylphenyl]-2-propenamide
IUPAC NAME: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-3-methyl-phenyl]-2-methyl-phenyl]prop-2-enamide
MOLECULAR FORMULA: C34H28N2O6
MOLECULAR WEIGHT: 560.59592
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4)C)NC(=O)C=CC5=CC6=C(C=C5)OCO6
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Product OPENEYE NAME: N,N'-bis[4-(2,4-dimethylphenyl)thiazol-2-yl]-2,2,3,3-tetrafluoro-butanediamide
CAS Name: N,N'-bis[4-(2,4-dimethylphenyl)-2-thiazolyl]-2,2,3,3-tetrafluorobutanediamide
IUPAC NAME: N,N'-bis[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetrafluorobutanediamide
SYSTEMATIC NAME: N,N'-bis[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetrakis(fluoranyl)butanediamide
MOLECULAR FORMULA: C26H22F4N4O2S2
MOLECULAR WEIGHT: 562.602093
SMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C(C(C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)C)C)(F)F)(F)F)C
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Product OPENEYE NAME: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dimethoxy-benzamide
CAS Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dimethoxybenzamide
IUPAC NAME: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dimethoxy-benzamide
MOLECULAR FORMULA: C24H31N3O5S2
MOLECULAR WEIGHT: 505.65004
SMILES: CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)OC)OC
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Product OPENEYE NAME: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CAS Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-pyridinecarboxamide
IUPAC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C19H18N4O3S2
MOLECULAR WEIGHT: 414.50122
SMILES: C=CCN(CC=C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3
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Product OPENEYE NAME: 2-methyl-N-(7-methylthiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-7-carboxamide
CAS Name: 2-methyl-N-(7-methyl-2-thiazolo[5,4-e][1,3]benzothiazolyl)-7-quinolinecarboxamide
IUPAC NAME: 2-methyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-7-carboxamide
SYSTEMATIC NAME: 2-methyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-7-carboxamide
MOLECULAR FORMULA: C20H14N4OS2
MOLECULAR WEIGHT: 390.48136
SMILES: CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C5=C(C=C4)SC(=N5)C
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Product OPENEYE NAME: 3-(2-chloro-6-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-morpholinopropyl)thiourea
CAS Name: 3-(2-chloro-6-methylphenyl)-1-(1-cyclohex-3-enylmethyl)-1-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 3-(2-chloro-6-methylphenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 3-(2-chloranyl-6-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C22H32ClN3OS
MOLECULAR WEIGHT: 422.02698
SMILES: CC1=C(C(=CC=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3CCC=CC3
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Product OPENEYE NAME: 3-allyl-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea
CAS Name: 1-[3-(1-imidazolyl)propyl]-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea
IUPAC NAME: 1-(3-imidazol-1-ylpropyl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 1-(3-imidazol-1-ylpropyl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C16H21N5S
MOLECULAR WEIGHT: 315.43644
SMILES: C=CCNC(=S)N(CCCN1C=CN=C1)CC2=CC=NC=C2
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Product OPENEYE NAME: 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CAS Name: 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(1-oxo-3-phenylpropyl)-2H-pyrrol-5-one
IUPAC NAME: 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyloxy)ethyl]-4-oxidanyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
MOLECULAR FORMULA: C25H29NO7
MOLECULAR WEIGHT: 455.50026
SMILES: COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)CCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 1-(4-hydroxybutyl)-3-phenyl-thiourea
CAS Name: 1-(4-hydroxybutyl)-3-phenylthiourea
IUPAC NAME: 1-(4-hydroxybutyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-oxidanylbutyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C11H16N2OS
MOLECULAR WEIGHT: 224.32254
SMILES: C1=CC=C(C=C1)NC(=S)NCCCCO
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Product OPENEYE NAME: N-[2-[5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CAS Name: N-[2-[5-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
IUPAC NAME: N-[2-[5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]ethanamide
MOLECULAR FORMULA: C21H22N4O2S
MOLECULAR WEIGHT: 394.48998
SMILES: CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCNC(=O)C
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Product OPENEYE NAME: N-[3-[5-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
CAS Name: N-[3-[5-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
IUPAC NAME: N-[3-[5-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]acetamide
SYSTEMATIC NAME: N-[3-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]ethanamide
MOLECULAR FORMULA: C24H27BrN4O3S
MOLECULAR WEIGHT: 531.46518
SMILES: CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)OC)Br)CCCNC(=O)C)C
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All Chemical Compounds Information

2012-03-06T07:45:00.001-08:00

Product OPENEYE NAME: ethyl 2-(cyclopropanecarbonylamino)thiophene-3-carboxylate
CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(cyclopropanecarbonylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(cyclopropylcarbonylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C11H13NO3S
MOLECULAR WEIGHT: 239.29082
SMILES: CCOC(=O)C1=C(SC=C1)NC(=O)C2CC2
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Product OPENEYE NAME: 1-[4-(dimethylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CAS Name: 1-[4-(dimethylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-[4-(dimethylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C16H16F3N3O
MOLECULAR WEIGHT: 323.31295
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: tridodecyl-(2-phenylphenyl)silane
CAS Name: tridodecyl-(2-phenylphenyl)silane
IUPAC NAME: tridodecyl-(2-phenylphenyl)silane
SYSTEMATIC NAME: tridodecyl-(2-phenylphenyl)silane
MOLECULAR FORMULA: C48H84Si
MOLECULAR WEIGHT: 689.26606
SMILES: CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)C1=CC=CC=C1C2=CC=CC=C2
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Product OPENEYE NAME: N-(3-acetamido-4-chloro-phenyl)octadecanamide
CAS Name: N-(3-acetamido-4-chlorophenyl)octadecanamide
IUPAC NAME: N-(3-acetamido-4-chlorophenyl)octadecanamide
SYSTEMATIC NAME: N-(3-acetamido-4-chloranyl-phenyl)octadecanamide
MOLECULAR FORMULA: C26H43ClN2O2
MOLECULAR WEIGHT: 451.08482
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C
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Product OPENEYE NAME: allylselanylbenzene
CAS Name: (prop-2-enylseleno)benzene
IUPAC NAME: prop-2-enylselanylbenzene
SYSTEMATIC NAME: prop-2-enylselanylbenzene
MOLECULAR FORMULA: C9H10Se
MOLECULAR WEIGHT: 197.1357
SMILES: C=CC[Se]C1=CC=CC=C1
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Product OPENEYE NAME: 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CAS Name: 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C23H13Cl2F3N2O
MOLECULAR WEIGHT: 461.26333
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4C(F)(F)F
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Product OPENEYE NAME: 2-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)thiazol-2-yl]quinoline-4-carboxamide
CAS Name: 2-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-2-thiazolyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
MOLECULAR FORMULA: C25H13Cl4N3OS
MOLECULAR WEIGHT: 545.26722
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: butyl 4-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzoate
CAS Name: 4-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid butyl ester
IUPAC NAME: butyl 4-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzoate
SYSTEMATIC NAME: butyl 4-[[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C27H22Cl2N2O3
MOLECULAR WEIGHT: 493.38118
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: dimethyl 2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CAS Name: 2-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonylamino]benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C26H18Cl2N2O5
MOLECULAR WEIGHT: 509.33752
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: isopropyl 2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-[[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C29H26Cl2N2O3S
MOLECULAR WEIGHT: 553.49934
SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 2-chloro-N-[3-[(2-chloro-4-nitro-benzoyl)amino]-4-phenylazo-phenyl]-4-nitro-benzamide
CAS Name: 2-chloro-N-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-phenyldiazenylphenyl]-4-nitrobenzamide
IUPAC NAME: 2-chloro-N-[3-[(2-chloro-4-nitrobenzoyl)amino]-4-phenyldiazenylphenyl]-4-nitrobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-phenyldiazenyl-phenyl]-4-nitro-benzamide
MOLECULAR FORMULA: C26H16Cl2N6O6
MOLECULAR WEIGHT: 579.34784
SMILES: C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-(3-chlorophenoxy)-N-[[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]methyl]propanamide
CAS Name: 2-(3-chlorophenoxy)-N-[[4-[[[2-(3-chlorophenoxy)-1-oxopropyl]amino]methyl]phenyl]methyl]propanamide
IUPAC NAME: 2-(3-chlorophenoxy)-N-[[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]methyl]propanamide
SYSTEMATIC NAME: 2-(3-chloranylphenoxy)-N-[[4-[[2-(3-chloranylphenoxy)propanoylamino]methyl]phenyl]methyl]propanamide
MOLECULAR FORMULA: C26H26Cl2N2O4
MOLECULAR WEIGHT: 501.40164
SMILES: CC(C(=O)NCC1=CC=C(C=C1)CNC(=O)C(C)OC2=CC(=CC=C2)Cl)OC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: [4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2,4-dimethylphenyl)-4-quinolyl]methanone
CAS Name: [2-(2,4-dimethylphenyl)-4-quinolinyl]-[4-[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: [4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone
SYSTEMATIC NAME: [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C41H38N4O2
MOLECULAR WEIGHT: 618.76602
SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCN(CC4)C(=O)C5=CC(=NC6=CC=CC=C65)C7=C(C=C(C=C7)C)C)C
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All Chemical Compounds Information

2012-03-06T06:45:00.001-08:00

Product OPENEYE NAME: diisopropyl 5-[[2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[[[2-(2,4-dichlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester
IUPAC NAME: dipropan-2-yl 5-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dipropan-2-yl 5-[[2-(2,4-dichlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C30H28Cl2N2O5S
MOLECULAR WEIGHT: 599.52472
SMILES: CC1=C(C2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C(=O)OC(C)C
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Product OPENEYE NAME: 2-[2-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CAS Name: 2-[2-[[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]ethoxy]ethanol
IUPAC NAME: 2-[2-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
MOLECULAR FORMULA: C23H23ClN4O2
MOLECULAR WEIGHT: 422.90732
SMILES: CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCCOCCO)C4=CC=CC=C4)Cl
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Product OPENEYE NAME: N-(4H-chromeno[4,3-d]thiazol-2-yl)-2-methyl-benzamide
CAS Name: N-(4H-[1]benzopyrano[4,3-d]thiazol-2-yl)-2-methylbenzamide
IUPAC NAME: N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-methylbenzamide
SYSTEMATIC NAME: N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-methyl-benzamide
MOLECULAR FORMULA: C18H14N2O2S
MOLECULAR WEIGHT: 322.38096
SMILES: CC1=CC=CC=C1C(=O)NC2=NC3=C(S2)COC4=CC=CC=C43
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Product OPENEYE NAME: N-(5-benzoyl-4-phenyl-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CAS Name: N-(5-benzoyl-4-phenyl-2-thiazolyl)-1,3-benzothiazole-6-carboxamide
IUPAC NAME: N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SYSTEMATIC NAME: N-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]-1,3-benzothiazole-6-carboxamide
MOLECULAR FORMULA: C24H15N3O2S2
MOLECULAR WEIGHT: 441.5248
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)C5=CC=CC=C5
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Product OPENEYE NAME: O6-ethyl O3-methyl 2-[[4-(diisobutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CAS Name: 2-[[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester
IUPAC NAME: 6-O-ethyl 3-O-methyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SYSTEMATIC NAME: O6-ethyl O3-methyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
MOLECULAR FORMULA: C27H37N3O7S2
MOLECULAR WEIGHT: 579.72858
SMILES: CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC(C)C)CC(C)C
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-[5,5-dioxo-2-(p-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CAS Name: 1-(4-chlorophenyl)-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-cyclopentanecarboxamide
IUPAC NAME: 1-(4-chlorophenyl)-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-[2-(4-methylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C24H24ClN3O3S
MOLECULAR WEIGHT: 469.98366
SMILES: CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CAS Name: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-naphthalenecarboxamide
IUPAC NAME: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[2-(3,4-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C24H21N3O3S
MOLECULAR WEIGHT: 431.50684
SMILES: CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CC5=CC=CC=C54)C
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Product OPENEYE NAME: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethyl-benzamide
CAS Name: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
IUPAC NAME: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
SYSTEMATIC NAME: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethyl-benzamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC(=CC(=C4)C)C)C
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Product OPENEYE NAME: 4-fluoro-N-[3-(4-methoxyanilino)-4-oxo-1-naphthylidene]benzenesulfonamide
CAS Name: 4-fluoro-N-[3-(4-methoxyanilino)-4-oxo-1-naphthalenylidene]benzenesulfonamide
IUPAC NAME: 4-fluoro-N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-fluoranyl-N-[3-[(4-methoxyphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C23H17FN2O4S
MOLECULAR WEIGHT: 436.455483
SMILES: COC1=CC=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4C2=O
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