Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-(5-bromo-2-thienyl)thiazol-2-yl]-4-(diisobutylsulfamoyl)benzamide
CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]benzamide
IUPAC NAME: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C22H26BrN3O3S3
MOLECULAR WEIGHT: 556.55914
SMILES: CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Br
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Product OPENEYE NAME: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide
CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide
IUPAC NAME: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C28H26N6O2S2
MOLECULAR WEIGHT: 542.67504
SMILES: CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC(=C(C=C5)C)C
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Product OPENEYE NAME: ethyl 2-[[2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-[[5-[[[(2-fluorophenyl)-oxomethyl]amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[[5-[[(2-fluorophenyl)carbonylamino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C30H30FN5O4S2
MOLECULAR WEIGHT: 607.718703
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5F
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Product OPENEYE NAME: ethyl 2-(cyclopropanecarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(cyclopropanecarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(cyclopropylcarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3CC3
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Product OPENEYE NAME: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-dimethoxy-benzamide
CAS Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,6-dimethoxybenzamide
IUPAC NAME: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-dimethoxybenzamide
SYSTEMATIC NAME: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,6-dimethoxy-benzamide
MOLECULAR FORMULA: C24H23N3O3S
MOLECULAR WEIGHT: 433.52272
SMILES: COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholinosulfonyl-benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C32H30N4O4S3
MOLECULAR WEIGHT: 630.8
SMILES: C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=NC6=CC=CC=C6S5)CC7=CC=CC=C7
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CAS Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]ethanamide
MOLECULAR FORMULA: C21H20N4O5S
MOLECULAR WEIGHT: 440.4723
SMILES: COC1=C(C=C(C=C1)CC(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-(4-methylanilino)-N-(2-thienylmethyl)pyridine-3-carboxamide
CAS Name: 2-(4-methylanilino)-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide
IUPAC NAME: 2-(4-methylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 2-[(4-methylphenyl)amino]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C18H17N3OS
MOLECULAR WEIGHT: 323.41208
SMILES: CC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CC=CS3
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Product OPENEYE NAME: N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-[(2-methoxyphenyl)methyl]-2-oxo-ethyl]acetamide
CAS Name: N-[1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-(2-methoxyphenyl)-1-oxopropan-2-yl]acetamide
IUPAC NAME: N-[1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)-1-oxopropan-2-yl]acetamide
SYSTEMATIC NAME: N-[1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-(2-methoxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
MOLECULAR FORMULA: C23H26FN3O4
MOLECULAR WEIGHT: 427.468643
SMILES: CC(=O)NC(CC1=CC=CC=C1OC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol
CAS Name: 2-methoxy-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenol
IUPAC NAME: 2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol
SYSTEMATIC NAME: 2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol
MOLECULAR FORMULA: C18H23N2O2+
MOLECULAR WEIGHT: 299.38742
SMILES: COC1=CC=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(1-methyl-1-phenyl-ethyl)-2-(morpholin-4-ium-4-ylmethyl)phenol
CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-(2-phenylpropan-2-yl)phenol
IUPAC NAME: 2-(morpholin-4-ium-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol
SYSTEMATIC NAME: 2-(morpholin-4-ium-4-ylmethyl)-4-(2-phenylpropan-2-yl)phenol
MOLECULAR FORMULA: C20H26NO2+
MOLECULAR WEIGHT: 312.42594
SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C[NH+]3CCOCC3
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Product OPENEYE NAME: 2-(2-methoxyphenoxy)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide
CAS Name: 2-(2-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
IUPAC NAME: 2-(2-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
SYSTEMATIC NAME: 2-(2-methoxyphenoxy)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
MOLECULAR FORMULA: C18H17N3O4S
MOLECULAR WEIGHT: 371.41028
SMILES: CC(C(=O)NN1C(=O)C2=CC=CC=C2NC1=S)OC3=CC=CC=C3OC
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