Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-(2-methylallyl)thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C17H25N3O2S
MOLECULAR WEIGHT: 335.4643
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCC(=C)C
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Product OPENEYE NAME: methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H30N3O5S+
MOLECULAR WEIGHT: 412.5236
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H29N3O5S
MOLECULAR WEIGHT: 411.51566
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-isopentyloxybenzoyl)amino]thiourea
CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-(3-chloro-4-fluorophenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[4-(3-methylbutoxy)phenyl]carbonylamino]thiourea
MOLECULAR FORMULA: C19H21ClFN3O2S
MOLECULAR WEIGHT: 409.905343
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C22H30N4O4
MOLECULAR WEIGHT: 414.498
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13FN2O6
MOLECULAR WEIGHT: 372.304023
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-[(4-isopentyloxybenzoyl)amino]thiourea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-[[4-(3-methylbutoxy)phenyl]carbonylamino]thiourea
MOLECULAR FORMULA: C20H24ClN3O2S
MOLECULAR WEIGHT: 405.94146
SMILES: CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C)Cl
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C22H30N4O4
MOLECULAR WEIGHT: 414.498
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: methyl 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25N2O3+
MOLECULAR WEIGHT: 305.392
SMILES: CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H29N2O3+
MOLECULAR WEIGHT: 333.44516
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H28N2O3
MOLECULAR WEIGHT: 332.43722
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C24H30N2O5
MOLECULAR WEIGHT: 426.5054
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
MOLECULAR FORMULA: C20H33N4O3S+
MOLECULAR WEIGHT: 409.56602
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCC[NH+]2CCOCC2
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-(3-morpholinopropyl)thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C20H32N4O3S
MOLECULAR WEIGHT: 408.55808
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCCN2CCOCC2
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Product OPENEYE NAME: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16N2O7
MOLECULAR WEIGHT: 384.33954
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H28N3O5S+
MOLECULAR WEIGHT: 410.50772
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H27N3O5S
MOLECULAR WEIGHT: 409.49978
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: methyl 1-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22ClN2O3+
MOLECULAR WEIGHT: 325.81048
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)Cl
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Product OPENEYE NAME: methyl 1-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21ClN2O3
MOLECULAR WEIGHT: 324.80254
SMILES: CC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC)Cl
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C24H30N2O5
MOLECULAR WEIGHT: 426.5054
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: 1-[(4-isopentyloxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea
IUPAC NAME: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-(3-methylsulfanylpropyl)thiourea
SYSTEMATIC NAME: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-(3-methylsulfanylpropyl)thiourea
MOLECULAR FORMULA: C17H27N3O2S2
MOLECULAR WEIGHT: 369.54518
SMILES: CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCCSC
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Product OPENEYE NAME: [2-(dibenzylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-(dibenzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C26H23NO4
MOLECULAR WEIGHT: 413.46512
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-carboxylate
CAS Name: 1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H21N2O3+
MOLECULAR WEIGHT: 277.33884
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2
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