Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)butanamide
CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)butanamide
IUPAC NAME: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)butanamide
SYSTEMATIC NAME: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)butanamide
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CN=CC=C3
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Product OPENEYE NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C26H30N4O5S
MOLECULAR WEIGHT: 510.6052
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCN4CCCC4=O)OC
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Product OPENEYE NAME: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-(2-phenylethyl)butanamide
CAS Name: 4-[2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(2-phenylethyl)butanamide
IUPAC NAME: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide
SYSTEMATIC NAME: 4-[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-(2-phenylethyl)butanamide
MOLECULAR FORMULA: C30H32N4O5S
MOLECULAR WEIGHT: 560.66388
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyanilino)prop-2-enamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[(2,4-dimethylphenyl)methylthio]-3-(4-ethoxyanilino)-2-propenamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyanilino)prop-2-enamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-[(4-ethoxyphenyl)amino]prop-2-enamide
MOLECULAR FORMULA: C29H29N3O4S
MOLECULAR WEIGHT: 515.62326
SMILES: CCOC1=CC=C(C=C1)NC(=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)SCC4=C(C=C(C=C4)C)C
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-1-(2,4-difluorophenyl)benzimidazole-5-carboxamide
CAS Name: N-[(2-chlorophenyl)methyl]-1-(2,4-difluorophenyl)-5-benzimidazolecarboxamide
IUPAC NAME: N-[(2-chlorophenyl)methyl]-1-(2,4-difluorophenyl)benzimidazole-5-carboxamide
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-N-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide
MOLECULAR FORMULA: C21H14ClF2N3O
MOLECULAR WEIGHT: 397.805166
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=C(C=C(C=C4)F)F)Cl
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Product OPENEYE NAME: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(2-furyl)isoxazole-3-carboxamide
CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-furanyl)-3-isoxazolecarboxamide
IUPAC NAME: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C17H15N3O4S
MOLECULAR WEIGHT: 357.3837
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC=CO4)C(=O)N
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Product OPENEYE NAME: 4-bromo-N-(3-cyclohexylsulfanylpropyl)benzenesulfonamide
CAS Name: 4-bromo-N-[3-(cyclohexylthio)propyl]benzenesulfonamide
IUPAC NAME: 4-bromo-N-(3-cyclohexylsulfanylpropyl)benzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-(3-cyclohexylsulfanylpropyl)benzenesulfonamide
MOLECULAR FORMULA: C15H22BrNO2S2
MOLECULAR WEIGHT: 392.37468
SMILES: C1CCC(CC1)SCCCNS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CAS Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
IUPAC NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SYSTEMATIC NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
MOLECULAR FORMULA: C26H22N4O6S
MOLECULAR WEIGHT: 518.54108
SMILES: C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NN=C(O4)C5=CC6=C(C=C5)OCCO6
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Product OPENEYE NAME: 4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CAS Name: 4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC NAME: 4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
MOLECULAR FORMULA: C17H12BrN3O4
MOLECULAR WEIGHT: 402.19888
SMILES: C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)NC(=O)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: N-(3-chlorophenyl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CAS Name: N-(3-chlorophenyl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide
IUPAC NAME: N-(3-chlorophenyl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-[(3-ethyl-6-methyl-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H18ClN3O2S2
MOLECULAR WEIGHT: 395.92672
SMILES: CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-cinnamylsulfanyl-3-(4-methoxyphenyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CAS Name: 3-(4-methoxyphenyl)-6-methyl-2-(3-phenylprop-2-enylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
IUPAC NAME: 3-(4-methoxyphenyl)-6-methyl-2-(3-phenylprop-2-enylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-6-methyl-2-(3-phenylprop-2-enylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C23H22N2O2S2
MOLECULAR WEIGHT: 422.56298
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-benzyl-2-[1-(p-tolylmethyl)indol-3-yl]sulfanyl-acetamide
CAS Name: 2-[[1-[(4-methylphenyl)methyl]-3-indolyl]thio]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C25H24N2OS
MOLECULAR WEIGHT: 400.53586
SMILES: CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-oxo-4,6-bis(p-tolyl)cyclohex-3-ene-1-carboxylate
CAS Name: 4,6-bis(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4,6-bis(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: ethyl 4,6-bis(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C23H24O3
MOLECULAR WEIGHT: 348.43486
SMILES: CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
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Product OPENEYE NAME: ethyl 3-allyl-2-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C21H25N3O5S2
MOLECULAR WEIGHT: 463.5703
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCOCC3)S2)CC=C
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Product OPENEYE NAME: 4-butyl-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide
CAS Name: 4-butyl-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide
IUPAC NAME: 4-butyl-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 4-butyl-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C22H28ClN3OS
MOLECULAR WEIGHT: 417.99522
SMILES: CCCCC1CCC(CC1)C(=O)NC2=C3CSCC3=NN2C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
CAS Name: 2-[[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
IUPAC NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
SYSTEMATIC NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
MOLECULAR FORMULA: C24H22BrN5O3S2
MOLECULAR WEIGHT: 572.49718
SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=C(C=C5)Br
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Product OPENEYE NAME: 2-(1-methylindol-3-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CAS Name: 2-[(1-methyl-3-indolyl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC NAME: 2-(1-methylindol-3-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(1-methylindol-3-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C14H14N4OS2
MOLECULAR WEIGHT: 318.41716
SMILES: CC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)C
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Product OPENEYE NAME: N-cyclododecyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-cyclododecyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC NAME: N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-cyclododecyl-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C19H29N3O2S
MOLECULAR WEIGHT: 363.51746
SMILES: C1CCCCCC(CCCCC1)NC(=O)C2=CN=C3N(C2=O)CCS3
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Product OPENEYE NAME: N-[2-[3-(2-anilino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CAS Name: N-[2-[3-[(2-anilino-2-oxoethyl)thio]-1-indolyl]ethyl]-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C26H22F3N3O2S
MOLECULAR WEIGHT: 497.53199
SMILES: C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-[4-(p-tolyl)thiazol-2-yl]acetamide
CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]acetamide
IUPAC NAME: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SYSTEMATIC NAME: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C20H25N3O2S2
MOLECULAR WEIGHT: 403.5614
SMILES: CC1CCCCN1C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C
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