Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-methyl-N-(p-tolylcarbamothioyl)furan-2-carboxamide
CAS Name: 3-methyl-N-[(4-methylanilino)-sulfanylidenemethyl]-2-furancarboxamide
IUPAC NAME: 3-methyl-N-[(4-methylphenyl)carbamothioyl]furan-2-carboxamide
SYSTEMATIC NAME: 3-methyl-N-[(4-methylphenyl)carbamothioyl]furan-2-carboxamide
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CO2)C
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Product OPENEYE NAME: N-[2-[2-[(4-allyloxyphenyl)methylene]hydrazino]-2-oxo-ethyl]-4-chloro-benzamide
CAS Name: 4-chloro-N-[2-oxo-2-[2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
IUPAC NAME: 4-chloro-N-[2-oxo-2-[2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-oxidanylidene-2-[2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
MOLECULAR FORMULA: C19H18ClN3O3
MOLECULAR WEIGHT: 371.81752
SMILES: C=CCOC1=CC=C(C=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-[[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxo-acetyl]hydrazono]methyl]phenyl] 2-iodobenzoate
CAS Name: 2-iodobenzoic acid [4-[[[2-[2-[(4-chloroanilino)-oxomethyl]anilino]-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SYSTEMATIC NAME: [4-[[[2-[[2-[(4-chlorophenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 2-iodanylbenzoate
MOLECULAR FORMULA: C29H20ClIN4O5
MOLECULAR WEIGHT: 666.85037
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I
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Product OPENEYE NAME: 3-(5-bromo-2-furyl)-2-(p-tolylsulfonyl)prop-2-enenitrile
CAS Name: 3-(5-bromo-2-furanyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile
IUPAC NAME: 3-(5-bromofuran-2-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: 3-(5-bromanylfuran-2-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C14H10BrNO3S
MOLECULAR WEIGHT: 352.2031
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)Br)C#N
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Product OPENEYE NAME: [4-[[[2-(dodecanoylamino)acetyl]hydrazono]methyl]phenyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [4-[[[1-oxo-2-(1-oxododecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
SYSTEMATIC NAME: [4-[[2-(dodecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
MOLECULAR FORMULA: C26H35N3O4S
MOLECULAR WEIGHT: 485.6388
SMILES: CCCCCCCCCCCC(=O)NCC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CS2
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Product OPENEYE NAME: 4,4-diethoxy-1-(p-tolylsulfonyl)piperidine
CAS Name: 4,4-diethoxy-1-(4-methylphenyl)sulfonylpiperidine
IUPAC NAME: 4,4-diethoxy-1-(4-methylphenyl)sulfonylpiperidine
SYSTEMATIC NAME: 4,4-diethoxy-1-(4-methylphenyl)sulfonyl-piperidine
MOLECULAR FORMULA: C16H25NO4S
MOLECULAR WEIGHT: 327.439
SMILES: CCOC1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)OCC
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Product OPENEYE NAME: ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]thiophene-3-carboxylate
CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C32H28N2O7S
MOLECULAR WEIGHT: 584.63892
SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate
CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C30H23N3O7S
MOLECULAR WEIGHT: 569.58452
SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: ethyl 6-tert-butyl-2-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 6-tert-butyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-tert-butyl-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C32H34N2O5S
MOLECULAR WEIGHT: 558.68776
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: methyl 6-tert-butyl-2-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 6-tert-butyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 6-tert-butyl-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C31H32N2O5S
MOLECULAR WEIGHT: 544.66118
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: [4-bromo-2-[(p-tolylsulfonylhydrazono)methyl]phenyl] 4-methylbenzoate
CAS Name: 4-methylbenzoic acid [4-bromo-2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-bromo-2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
SYSTEMATIC NAME: [4-bromanyl-2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
MOLECULAR FORMULA: C22H19BrN2O4S
MOLECULAR WEIGHT: 487.36626
SMILES: CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNS(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)acetamide
CAS Name: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethyl-1-piperidin-1-iumyl)acetamide
IUPAC NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C20H30ClN2O+
MOLECULAR WEIGHT: 349.918
SMILES: CC1CC(C[NH+](C1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3)C
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