Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[[2-(2,4-dinitrophenyl)acetyl]hydrazono]-N-phenyl-butanamide
CAS Name: 3-[[2-(2,4-dinitrophenyl)-1-oxoethyl]hydrazinylidene]-N-phenylbutanamide
IUPAC NAME: 3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
SYSTEMATIC NAME: 3-[2-(2,4-dinitrophenyl)ethanoylhydrazinylidene]-N-phenyl-butanamide
MOLECULAR FORMULA: C18H17N5O6
MOLECULAR WEIGHT: 399.35748
SMILES: CC(=NNC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: N-(cyclohexylideneamino)nonanamide
CAS Name: N-(cyclohexylideneamino)nonanamide
IUPAC NAME: N-(cyclohexylideneamino)nonanamide
SYSTEMATIC NAME: N-(cyclohexylideneamino)nonanamide
MOLECULAR FORMULA: C15H28N2O
MOLECULAR WEIGHT: 252.39562
SMILES: CCCCCCCCC(=O)NN=C1CCCCC1
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Product OPENEYE NAME: 2-(5-methoxy-1-oxo-2-isoquinolyl)-N-thiazol-2-yl-acetamide
CAS Name: 2-(5-methoxy-1-oxo-2-isoquinolinyl)-N-(2-thiazolyl)acetamide
IUPAC NAME: 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(5-methoxy-1-oxidanylidene-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C15H13N3O3S
MOLECULAR WEIGHT: 315.34702
SMILES: COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=NC=CS3
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]ethanamide
MOLECULAR FORMULA: C23H21ClN6O4S
MOLECULAR WEIGHT: 512.96864
SMILES: COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3Cl)CC4=CC(=O)NC(=O)N4
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Product OPENEYE NAME: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea
CAS Name: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(2-oxolanylmethyl)thiourea
IUPAC NAME: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C21H25FN2O2S
MOLECULAR WEIGHT: 388.498803
SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-furylmethyl)thiourea
CAS Name: 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-furanylmethyl)thiourea
IUPAC NAME: 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: COC1=CC(=C(C=C1)NC(=S)N(CC2=C(C(=CC=C2)OC)OC)CC3=CC=CO3)OC
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Product OPENEYE NAME: 2-(hexylcarbamoylamino)-2-phenyl-acetic acid
CAS Name: 2-[[(hexylamino)-oxomethyl]amino]-2-phenylacetic acid
IUPAC NAME: 2-(hexylcarbamoylamino)-2-phenylacetic acid
SYSTEMATIC NAME: 2-(hexylcarbamoylamino)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CCCCCCNC(=O)NC(C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CAS Name: 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
IUPAC NAME: 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C24H25FN2O2S
MOLECULAR WEIGHT: 424.530903
SMILES: CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F)OC
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Product OPENEYE NAME: methyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate
CAS Name: 4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate
SYSTEMATIC NAME: methyl 4-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate
MOLECULAR FORMULA: C14H13N3O3S
MOLECULAR WEIGHT: 303.33632
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2
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Product OPENEYE NAME: ethyl 2-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate
CAS Name: 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetate
SYSTEMATIC NAME: ethyl 2-[2-oxidanylidene-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylethanoate
MOLECULAR FORMULA: C11H17N3O3S2
MOLECULAR WEIGHT: 303.40098
SMILES: CCOC(=O)CSCC(=O)NC1=NN=C(S1)C(C)C
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Product OPENEYE NAME: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-allylsulfanyl-acetamide
CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(prop-2-enylthio)acetamide
IUPAC NAME: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanylacetamide
SYSTEMATIC NAME: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-ethanamide
MOLECULAR FORMULA: C14H15NO4S
MOLECULAR WEIGHT: 293.3382
SMILES: CC(=O)C1=CC2=C(C=C1NC(=O)CSCC=C)OCO2
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Product OPENEYE NAME: 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CAS Name: 4-[[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]morpholine
IUPAC NAME: 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
MOLECULAR FORMULA: C18H18FN3O
MOLECULAR WEIGHT: 311.353423
SMILES: C1COCCN1CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-[6-(2-formylphenoxy)hexoxy]benzaldehyde
CAS Name: 2-[6-(2-formylphenoxy)hexoxy]benzaldehyde
IUPAC NAME: 2-[6-(2-formylphenoxy)hexoxy]benzaldehyde
SYSTEMATIC NAME: 2-[6-(2-methanoylphenoxy)hexoxy]benzaldehyde
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: C1=CC=C(C(=C1)C=O)OCCCCCCOC2=CC=CC=C2C=O
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Product OPENEYE NAME: (cyclohexylideneamino) N-(4-bromophenyl)carbamate
CAS Name: N-(4-bromophenyl)carbamic acid (cyclohexylideneamino) ester
IUPAC NAME: (cyclohexylideneamino) N-(4-bromophenyl)carbamate
SYSTEMATIC NAME: (cyclohexylideneamino) N-(4-bromophenyl)carbamate
MOLECULAR FORMULA: C13H15BrN2O2
MOLECULAR WEIGHT: 311.1744
SMILES: C1CCC(=NOC(=O)NC2=CC=C(C=C2)Br)CC1
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Product OPENEYE NAME: N-(3-bromophenyl)-2-(1-methyl-3-phenylsulfanyl-indol-2-yl)acetamide
CAS Name: N-(3-bromophenyl)-2-[1-methyl-3-(phenylthio)-2-indolyl]acetamide
IUPAC NAME: N-(3-bromophenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
SYSTEMATIC NAME: N-(3-bromophenyl)-2-(1-methyl-3-phenylsulfanyl-indol-2-yl)ethanamide
MOLECULAR FORMULA: C23H19BrN2OS
MOLECULAR WEIGHT: 451.37876
SMILES: CN1C2=CC=CC=C2C(=C1CC(=O)NC3=CC(=CC=C3)Br)SC4=CC=CC=C4
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Product OPENEYE NAME: 2-(1-benzyl-3-phenylsulfanyl-indol-2-yl)-N-(3-bromophenyl)acetamide
CAS Name: N-(3-bromophenyl)-2-[1-(phenylmethyl)-3-(phenylthio)-2-indolyl]acetamide
IUPAC NAME: 2-(1-benzyl-3-phenylsulfanylindol-2-yl)-N-(3-bromophenyl)acetamide
SYSTEMATIC NAME: N-(3-bromophenyl)-2-[1-(phenylmethyl)-3-phenylsulfanyl-indol-2-yl]ethanamide
MOLECULAR FORMULA: C29H23BrN2OS
MOLECULAR WEIGHT: 527.47472
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2CC(=O)NC4=CC(=CC=C4)Br)SC5=CC=CC=C5
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Product OPENEYE NAME: 3-acetyl-6-bromo-4-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]chroman-2-one
CAS Name: 3-acetyl-6-bromo-4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
IUPAC NAME: 3-acetyl-6-bromo-4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3,4-dihydrochromen-2-one
SYSTEMATIC NAME: 6-bromanyl-4-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-3-ethanoyl-3,4-dihydrochromen-2-one
MOLECULAR FORMULA: C20H16Br2O4
MOLECULAR WEIGHT: 480.14664
SMILES: CC(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)C)C(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 6-(1,2-dibromo-2-phenyl-ethyl)-3,3,5,5-tetramethyl-tetrahydropyran-2,4-dione
CAS Name: 6-(1,2-dibromo-2-phenylethyl)-3,3,5,5-tetramethyloxane-2,4-dione
IUPAC NAME: 6-(1,2-dibromo-2-phenylethyl)-3,3,5,5-tetramethyloxane-2,4-dione
SYSTEMATIC NAME: 6-[1,2-bis(bromanyl)-2-phenyl-ethyl]-3,3,5,5-tetramethyl-oxane-2,4-dione
MOLECULAR FORMULA: C17H20Br2O3
MOLECULAR WEIGHT: 432.1469
SMILES: CC1(C(OC(=O)C(C1=O)(C)C)C(C(C2=CC=CC=C2)Br)Br)C
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Product OPENEYE NAME: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-fluoro-benzamide
CAS Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-fluorobenzamide
IUPAC NAME: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-fluorobenzamide
SYSTEMATIC NAME: N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C18H14FN3O3S
MOLECULAR WEIGHT: 371.385463
SMILES: C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F
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Product OPENEYE NAME: 2-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)acetamide
CAS Name: 2-(1,1-dioxo-3-thiolanyl)-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C12H14FNO3S
MOLECULAR WEIGHT: 271.307863
SMILES: C1CS(=O)(=O)CC1CC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-(4-chlorophenyl)tetrahydrofuran-2-carboxamide
CAS Name: N-(4-chlorophenyl)-2-oxolanecarboxamide
IUPAC NAME: N-(4-chlorophenyl)oxolane-2-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)oxolane-2-carboxamide
MOLECULAR FORMULA: C11H12ClNO2
MOLECULAR WEIGHT: 225.67148
SMILES: C1CC(OC1)C(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-[5-[2-(3-acetoxypropyl)-1,3-dioxo-isoindolin-5-yl]oxy-1,3-dioxo-isoindolin-2-yl]propyl acetate
CAS Name: acetic acid 3-[5-[[2-(3-acetyloxypropyl)-1,3-dioxo-5-isoindolyl]oxy]-1,3-dioxo-2-isoindolyl]propyl ester
IUPAC NAME: 3-[5-[2-(3-acetyloxypropyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]propyl acetate
SYSTEMATIC NAME: 3-[5-[2-(3-acetyloxypropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]oxy-1,3-bis(oxidanylidene)isoindol-2-yl]propyl ethanoate
MOLECULAR FORMULA: C26H24N2O9
MOLECULAR WEIGHT: 508.47676
SMILES: CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC(=O)C
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Product OPENEYE NAME: 4-(2,4-dichlorophenoxy)-N-[1-(3-hydroxyphenyl)ethylideneamino]butanamide
CAS Name: 4-(2,4-dichlorophenoxy)-N-[1-(3-hydroxyphenyl)ethylideneamino]butanamide
IUPAC NAME: 4-(2,4-dichlorophenoxy)-N-[1-(3-hydroxyphenyl)ethylideneamino]butanamide
SYSTEMATIC NAME: 4-[2,4-bis(chloranyl)phenoxy]-N-[1-(3-hydroxyphenyl)ethylideneamino]butanamide
MOLECULAR FORMULA: C18H18Cl2N2O3
MOLECULAR WEIGHT: 381.25312
SMILES: CC(=NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl)C2=CC(=CC=C2)O
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Product OPENEYE NAME: N-[3-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[1-[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[N-[2-(4-methoxyphenyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC(=CC=C2)NC(=O)C3=CC=CS3
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