Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-methylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-methylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
MOLECULAR FORMULA: C17H21N3O4S2
MOLECULAR WEIGHT: 395.49634
SMILES: CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC)OC
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Product OPENEYE NAME: (2R)-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CCCNC(=O)[C@@H](C)NC(=O)/C=C/C1=CC(=CC=C1)C
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Product OPENEYE NAME: N-(cyclopentylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(cyclopentylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N4O4S+
MOLECULAR WEIGHT: 409.52296
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3CCCC3
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Product OPENEYE NAME: N-(cyclopentylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(cyclopentylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H28N4O4S
MOLECULAR WEIGHT: 408.51502
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC3CCCC3
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Product OPENEYE NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-isopropyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propan-2-ylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propan-2-ylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propan-2-yl-thiourea
MOLECULAR FORMULA: C19H25N3O4S2
MOLECULAR WEIGHT: 423.5495
SMILES: CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC(C)C)OC
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Product OPENEYE NAME: (2S)-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC(=CC=C1)C
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Product OPENEYE NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
MOLECULAR FORMULA: C19H25N3O4S2
MOLECULAR WEIGHT: 423.5495
SMILES: CCCNC(=S)NCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC)OC)/SC1=O
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Product OPENEYE NAME: N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide
CAS Name: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide
IUPAC NAME: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C20H29N3O4S
MOLECULAR WEIGHT: 407.52696
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: ethyl N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C16H24N3O5S+
MOLECULAR WEIGHT: 370.44386
SMILES: CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: ethyl N-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C16H23N3O5S
MOLECULAR WEIGHT: 369.43592
SMILES: CCOC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H18N2O4S
MOLECULAR WEIGHT: 394.44362
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3)C#N
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-propanoylphenoxy)acetate
CAS Name: 2-[4-(1-oxopropyl)phenoxy]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-propanoylphenoxy)acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-propanoylphenoxy)ethanoate
MOLECULAR FORMULA: C20H25N3O5
MOLECULAR WEIGHT: 387.4296
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide
CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide
IUPAC NAME: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C20H29N3O4S
MOLECULAR WEIGHT: 407.52696
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: 1-cyclopropyl-3-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-cyclopropyl-3-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-cyclopropyl-3-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-cyclopropyl-3-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C19H23N3O4S2
MOLECULAR WEIGHT: 421.53362
SMILES: CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC3CC3)OC
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