Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium
CAS Name: 2-[[[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]carbamothioylamino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C14H23ClN5O3S2+
MOLECULAR WEIGHT: 408.94712
SMILES: C[NH+](C)CCNC(=S)NNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 1-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
CAS Name: 1-[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
IUPAC NAME: 1-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
SYSTEMATIC NAME: 1-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-[2-(dimethylamino)ethyl]thiourea
MOLECULAR FORMULA: C14H22ClN5O3S2
MOLECULAR WEIGHT: 407.93918
SMILES: CN(C)CCNC(=S)NNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(1R)-1-phenylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2S)-N-(methylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C3=CC=CC=C3)C(=O)NC(=O)NC
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Product OPENEYE NAME: [2-(2,4-diacetamidophenyl)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-(2,4-diacetamidophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-diacetamidophenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C22H24N2O6
MOLECULAR WEIGHT: 412.43576
SMILES: CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)OC)NC(=O)C
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Product OPENEYE NAME: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester
IUPAC NAME: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H14N2O5
MOLECULAR WEIGHT: 362.33556
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-(methylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(methylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(methylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H16N2O2S2
MOLECULAR WEIGHT: 320.42974
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H25ClN3O3S+
MOLECULAR WEIGHT: 422.9488
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24ClN3O3S
MOLECULAR WEIGHT: 421.94086
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H21NO6S
MOLECULAR WEIGHT: 391.43814
SMILES: COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C
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Product OPENEYE NAME: (2-chloro-3-quinolyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-chloro-3-quinolinyl)methyl ester
IUPAC NAME: (2-chloroquinolin-3-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-chloranylquinolin-3-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H14ClNO4
MOLECULAR WEIGHT: 379.79316
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl
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Product OPENEYE NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetamide
CAS Name: (2R)-N-(methylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetamide
IUPAC NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C3=CC=CC=C3)C(=O)NC(=O)NC
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Product OPENEYE NAME: ethyl 2-(ethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(ethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C16H18N2O2S2
MOLECULAR WEIGHT: 334.45632
SMILES: CCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3C)C)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3C)C)C)C
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Product OPENEYE NAME: [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CCC1=CC=C(C=C1)[C@@H](C)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-phenylethyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-phenylethyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC3=CC=CC=C3)C
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Product OPENEYE NAME: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylsulfonylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H21NO6S
MOLECULAR WEIGHT: 391.43814
SMILES: COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C
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Product OPENEYE NAME: (2R)-N-ethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide
CAS Name: (2R)-N-ethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-phenylpropanamide
IUPAC NAME: (2R)-N-ethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SYSTEMATIC NAME: (2R)-N-ethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CCN(C1=CC=CC=C1)C(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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