Sunday, June 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: benzyl N-[(1R)-2-(2-ethylanilino)-1-methyl-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-(2-ethylanilino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-(2-ethylanilino)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[(2-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CCC1=CC=CC=C1NC(=O)[C@@H](C)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: 5-(cyclopropylsulfamoyl)-N-(2-ethylphenyl)-2-methyl-benzamide
CAS Name: 5-(cyclopropylsulfamoyl)-N-(2-ethylphenyl)-2-methylbenzamide
IUPAC NAME: 5-(cyclopropylsulfamoyl)-N-(2-ethylphenyl)-2-methylbenzamide
SYSTEMATIC NAME: 5-(cyclopropylsulfamoyl)-N-(2-ethylphenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C19H22N2O3S
MOLECULAR WEIGHT: 358.45458
SMILES: CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)C
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Product OPENEYE NAME: 2-bromo-N-(2-ethylphenyl)-5-sulfamoyl-benzamide
CAS Name: 2-bromo-N-(2-ethylphenyl)-5-sulfamoylbenzamide
IUPAC NAME: 2-bromo-N-(2-ethylphenyl)-5-sulfamoylbenzamide
SYSTEMATIC NAME: 2-bromanyl-N-(2-ethylphenyl)-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C15H15BrN2O3S
MOLECULAR WEIGHT: 383.2602
SMILES: CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br
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Product OPENEYE NAME: N-(1,1-diethylprop-2-ynyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-(3-ethylpent-1-yn-3-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-(3-ethylpent-1-yn-3-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C16H18N3O2+
MOLECULAR WEIGHT: 284.33302
SMILES: CCC(CC)(C#C)NC(=O)C1=CNC2=CC=CC=[N+]2C1=O
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Product OPENEYE NAME: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)propanamide
CAS Name: (2R)-N-(2-chloro-4,6-dimethylphenyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide
IUPAC NAME: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C20H21ClN4O2S
MOLECULAR WEIGHT: 416.92434
SMILES: CC1=CC(=C(C(=C1)Cl)NC(=O)[C@@H](C)SC2=NNC(=O)N2CC3=CC=CC=C3)C
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Product OPENEYE NAME: (2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)propanamide
CAS Name: (2S)-N-(2-chloro-4,6-dimethylphenyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide
IUPAC NAME: (2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C20H21ClN4O2S
MOLECULAR WEIGHT: 416.92434
SMILES: CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H](C)SC2=NNC(=O)N2CC3=CC=CC=C3)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl] 2-amino-5-nitro-benzoate
CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-oxo-1-(5-quinolinylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-amino-5-nitrobenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate
MOLECULAR FORMULA: C19H16N4O5
MOLECULAR WEIGHT: 380.35414
SMILES: C[C@H](C(=O)NC1=CC=CC2=C1C=CC=N2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl] 2-amino-5-nitro-benzoate
CAS Name: 2-amino-5-nitrobenzoic acid [(2S)-1-oxo-1-(5-quinolinylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-amino-5-nitrobenzoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate
MOLECULAR FORMULA: C19H16N4O5
MOLECULAR WEIGHT: 380.35414
SMILES: C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N
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Product OPENEYE NAME: 4-tert-butyl-N-[(1R)-1-[(4-fluoro-2-methyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]benzamide
CAS Name: 4-tert-butyl-N-[(2R)-1-(4-fluoro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-tert-butyl-N-[(2R)-1-(4-fluoro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[(2R)-1-[(4-fluoranyl-2-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C23H29FN2O4S
MOLECULAR WEIGHT: 448.550763
SMILES: CC1=C(C=CC(=C1)F)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: 4-tert-butyl-N-[(1S)-1-[(4-fluoro-2-methyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]benzamide
CAS Name: 4-tert-butyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-tert-butyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[(2S)-1-[(4-fluoranyl-2-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C23H29FN2O4S
MOLECULAR WEIGHT: 448.550763
SMILES: CC1=C(C=CC(=C1)F)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: (2R)-N-(4-tert-butylthiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CAS Name: (2R)-N-(4-tert-butyl-2-thiazolyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
IUPAC NAME: (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SYSTEMATIC NAME: (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
MOLECULAR FORMULA: C17H23N3O4S2
MOLECULAR WEIGHT: 397.51222
SMILES: C[C@H](C(=O)NC1=NC(=CS1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2,4-difluoro-N-[4-[2-(m-tolylcarbamoyl)anilino]-4-oxo-butyl]benzamide
CAS Name: 2,4-difluoro-N-[4-[2-[(3-methylanilino)-oxomethyl]anilino]-4-oxobutyl]benzamide
IUPAC NAME: 2,4-difluoro-N-[4-[2-[(3-methylphenyl)carbamoyl]anilino]-4-oxobutyl]benzamide
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-N-[4-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butyl]benzamide
MOLECULAR FORMULA: C25H23F2N3O3
MOLECULAR WEIGHT: 451.465226
SMILES: CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCCNC(=O)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide
CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
IUPAC NAME: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide
MOLECULAR FORMULA: C18H16ClFN4OS
MOLECULAR WEIGHT: 390.862243
SMILES: CC1=C(C=CC(=C1)CNC(=O)CSC2=NN=CN2C3=CC(=CC=C3)Cl)F
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Product OPENEYE NAME: N-[(4-fluoro-3-methyl-phenyl)methyl]-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[(1-methyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide
IUPAC NAME: N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H19FN4O3S2
MOLECULAR WEIGHT: 422.496863
SMILES: CC1=C(C=CC(=C1)CNC(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N)F
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Product OPENEYE NAME: N-benzyl-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-propyl-propanamide
CAS Name: 3-[(4S)-2,5-dioxo-4-imidazolidinyl]-N-(phenylmethyl)-N-propylpropanamide
IUPAC NAME: N-benzyl-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-propylpropanamide
SYSTEMATIC NAME: 3-[(4S)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-(phenylmethyl)-N-propyl-propanamide
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: CCCN(CC1=CC=CC=C1)C(=O)CC[C@H]2C(=O)NC(=O)N2
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Product OPENEYE NAME: N-benzyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-propyl-propanamide
CAS Name: 3-[(4R)-2,5-dioxo-4-imidazolidinyl]-N-(phenylmethyl)-N-propylpropanamide
IUPAC NAME: N-benzyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-propylpropanamide
SYSTEMATIC NAME: 3-[(4R)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-(phenylmethyl)-N-propyl-propanamide
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: CCCN(CC1=CC=CC=C1)C(=O)CC[C@@H]2C(=O)NC(=O)N2
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Product OPENEYE NAME: N-benzyl-4-(2-cyanoethylsulfamoyl)-N-propyl-benzamide
CAS Name: 4-(2-cyanoethylsulfamoyl)-N-(phenylmethyl)-N-propylbenzamide
IUPAC NAME: N-benzyl-4-(2-cyanoethylsulfamoyl)-N-propylbenzamide
SYSTEMATIC NAME: 4-(2-cyanoethylsulfamoyl)-N-(phenylmethyl)-N-propyl-benzamide
MOLECULAR FORMULA: C20H23N3O3S
MOLECULAR WEIGHT: 385.47992
SMILES: CCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N
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Product OPENEYE NAME: 4-(benzenesulfonamido)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-benzamide
CAS Name: 4-(benzenesulfonamido)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethylbenzamide
IUPAC NAME: 4-(benzenesulfonamido)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-4-(phenylsulfonylamino)benzamide
MOLECULAR FORMULA: C19H22N2O5S2
MOLECULAR WEIGHT: 422.51838
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(benzenesulfonamido)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-benzamide
CAS Name: 4-(benzenesulfonamido)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethylbenzamide
IUPAC NAME: 4-(benzenesulfonamido)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-4-(phenylsulfonylamino)benzamide
MOLECULAR FORMULA: C19H22N2O5S2
MOLECULAR WEIGHT: 422.51838
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3
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