Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C18H22N6OS2
MOLECULAR WEIGHT: 402.53688
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NN=C(S2)NCC3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[2-(4-acetamidophenyl)-1-oxoethyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[2-(4-acetamidophenyl)ethanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: CCCNC(=O)[C@@H](C)NC(=O)CC1=CC=C(C=C1)NC(=O)C
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Product OPENEYE NAME: N-isopentyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C18H30N3O3S+
MOLECULAR WEIGHT: 368.5141
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC(C)C
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Product OPENEYE NAME: N-isopentyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(3-methylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C18H29N3O3S
MOLECULAR WEIGHT: 367.50616
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC(C)C
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Product OPENEYE NAME: 1-benzhydryl-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea
CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(diphenylmethyl)-1-methylthiourea
IUPAC NAME: 1-benzhydryl-3-(2-chloro-5-nitrophenyl)-1-methylthiourea
SYSTEMATIC NAME: 3-(2-chloranyl-5-nitro-phenyl)-1-(diphenylmethyl)-1-methyl-thiourea
MOLECULAR FORMULA: C21H18ClN3O2S
MOLECULAR WEIGHT: 411.90452
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C24H29NO4
MOLECULAR WEIGHT: 395.49136
SMILES: C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=CC=CC=C5OC4
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Product OPENEYE NAME: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CAS Name: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-1-propanone
IUPAC NAME: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
SYSTEMATIC NAME: (2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
MOLECULAR FORMULA: C20H22N4O2S2
MOLECULAR WEIGHT: 414.54428
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)SC2=NN=C(S2)NCC3=CC=CC=C3
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Product OPENEYE NAME: methyl 6-[[benzhydryl(methyl)carbamothioyl]amino]hexanoate
CAS Name: 6-[[[(diphenylmethyl)-methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl 6-[[benzhydryl(methyl)carbamothioyl]amino]hexanoate
SYSTEMATIC NAME: methyl 6-[[(diphenylmethyl)-methyl-carbamothioyl]amino]hexanoate
MOLECULAR FORMULA: C22H28N2O2S
MOLECULAR WEIGHT: 384.53492
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCCCCCC(=O)OC
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Product OPENEYE NAME: (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[2-(4-acetamidophenyl)-1-oxoethyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[2-(4-acetamidophenyl)ethanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: CCCNC(=O)[C@H](C)NC(=O)CC1=CC=C(C=C1)NC(=O)C
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Product OPENEYE NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C24H29NO4
MOLECULAR WEIGHT: 395.49136
SMILES: C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=CC=CC=C5OC4
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Product OPENEYE NAME: N-(1-ethylpropyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C18H30N3O3S+
MOLECULAR WEIGHT: 368.5141
SMILES: CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-(1-ethylpropyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C18H29N3O3S
MOLECULAR WEIGHT: 367.50616
SMILES: CCC(CC)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]butanamide
CAS Name: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
IUPAC NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
SYSTEMATIC NAME: 4-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]butanamide
MOLECULAR FORMULA: C17H28N4O4
MOLECULAR WEIGHT: 352.42862
SMILES: CCCNC(=O)[C@@H](C)NC(=O)CCCN1C(=O)C2(CCCC2)NC1=O
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C22H28N2S
MOLECULAR WEIGHT: 352.53612
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)N(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-1-propanone
IUPAC NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
SYSTEMATIC NAME: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
MOLECULAR FORMULA: C20H22N4O2S2
MOLECULAR WEIGHT: 414.54428
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NN=C(S2)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(1R)-1-methylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H30N3O3S+
MOLECULAR WEIGHT: 368.5141
SMILES: CCC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[(1R)-1-methylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H29N3O3S
MOLECULAR WEIGHT: 367.50616
SMILES: CCC[C@@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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