Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H16N4O3S
MOLECULAR WEIGHT: 368.40964
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC4=C(C=C3)OCO4)/C1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic 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] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C19H24N4O4S
MOLECULAR WEIGHT: 404.48326
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3
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Product OPENEYE NAME: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-carbamoylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16N2O5
MOLECULAR WEIGHT: 352.34074
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: C[C@H](C1=CC=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23ClN2O3
MOLECULAR WEIGHT: 338.82912
SMILES: C[C@H](C1=CC=CC=C1Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[(Z)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CN1C2=CC=CC=C2/C(=N/NC(=S)NCC3=CC=C(C=C3)OC)/C1=O
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23ClN2O3
MOLECULAR WEIGHT: 338.82912
SMILES: C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic 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] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C19H24N4O4S
MOLECULAR WEIGHT: 404.48326
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: C[C@H](C1=CC(=CC=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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