Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-2-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethylamino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethylamino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C20H18FN3O5S
MOLECULAR WEIGHT: 431.437423
SMILES: C[C@@H](C(=O)NCCN1C(=O)/C(=C/C2=CC=CC=C2F)/SC1=O)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenylsulfanyl-propanamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(phenylthio)propanamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylsulfanylpropanamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenylsulfanyl-propanamide
MOLECULAR FORMULA: C20H23N3OS2
MOLECULAR WEIGHT: 385.54612
SMILES: CC(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)SC3=CC=CC=C3
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Product OPENEYE NAME: methyl (2R)-2-[[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H25N3O5S
MOLECULAR WEIGHT: 479.5481
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)OC
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Product OPENEYE NAME: methyl (2R)-2-[(5-bromo-2-chloro-benzoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H16BrClN2O3
MOLECULAR WEIGHT: 435.69894
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)Br)Cl
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-morpholinosulfonylbenzoyl)amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]propanoate
MOLECULAR FORMULA: C23H25N3O6S
MOLECULAR WEIGHT: 471.5261
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]propanoate
MOLECULAR FORMULA: C23H25N3O5S
MOLECULAR WEIGHT: 455.5267
SMILES: COC1=CC=C(C=C1)NC(=O)CSCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[3-(diethylsulfamoyl)-4-methyl-benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[3-(diethylsulfamoyl)-4-methylphenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C24H29N3O5S
MOLECULAR WEIGHT: 471.56916
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanamide
MOLECULAR FORMULA: C24H26N4O3S2
MOLECULAR WEIGHT: 482.61824
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoate
MOLECULAR FORMULA: C25H26N4O6
MOLECULAR WEIGHT: 478.49714
SMILES: CC1(C(=O)N(C(=O)N1)CC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: methyl (2R)-2-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C26H31N3O5S
MOLECULAR WEIGHT: 497.60644
SMILES: CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-chlorophenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H23ClN4O2S
MOLECULAR WEIGHT: 442.96162
SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: N-[(1S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide
CAS Name: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
IUPAC NAME: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SYSTEMATIC NAME: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide
MOLECULAR FORMULA: C25H33N3O4S
MOLECULAR WEIGHT: 471.61222
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC=C3)C)C
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Product OPENEYE NAME: N-[(1S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-2,6-difluoro-benzamide
CAS Name: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
IUPAC NAME: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C24H29F2N3O4S
MOLECULAR WEIGHT: 493.566566
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F)C
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Product OPENEYE NAME: 2-chloro-N-[(1S)-2-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazino]-1-methyl-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[[2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C21H24ClN3O4
MOLECULAR WEIGHT: 417.88596
SMILES: CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=O)[C@H](C)NC(=O)C2=CC=CC=C2Cl)C
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Product OPENEYE NAME: 4-fluoro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide
CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C22H25FN4O4
MOLECULAR WEIGHT: 428.456703
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C24H24N4O5
MOLECULAR WEIGHT: 448.47116
SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4
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Product OPENEYE NAME: 2-fluoro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide
CAS Name: 2-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C22H25FN4O4
MOLECULAR WEIGHT: 428.456703
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3F
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