Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-chlorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[(7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C18H18ClN3O2S
MOLECULAR WEIGHT: 375.87242
SMILES: CC1(CC2=NC(=NC=C2C(=O)C1)SCC(=O)NC3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: 2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide
CAS Name: 2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)thio]-N-(4-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[(7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C21H25N3O2S
MOLECULAR WEIGHT: 383.5071
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=C3C(=N2)CC(CC3=O)(C)C
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Product OPENEYE NAME: ethyl 6,6-dimethyl-4-oxo-3-(1-piperidyl)-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 6,6-dimethyl-4-oxo-3-(1-piperidinyl)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6,6-dimethyl-4-oxo-3-piperidin-1-yl-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: ethyl 6,6-dimethyl-4-oxidanylidene-3-piperidin-1-yl-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C18H25NO3S
MOLECULAR WEIGHT: 335.461
SMILES: CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)N3CCCCC3)(C)C
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Product OPENEYE NAME: ethyl 6,6-dimethyl-4-oxo-3-pyrrolidin-1-yl-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 6,6-dimethyl-4-oxo-3-(1-pyrrolidinyl)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6,6-dimethyl-4-oxo-3-pyrrolidin-1-yl-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: ethyl 6,6-dimethyl-4-oxidanylidene-3-pyrrolidin-1-yl-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C17H23NO3S
MOLECULAR WEIGHT: 321.43442
SMILES: CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)N3CCCC3)(C)C
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Product OPENEYE NAME: methyl 3-methoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 3-methoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester
IUPAC NAME: methyl 3-methoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: methyl 3-methoxy-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C13H16O4S
MOLECULAR WEIGHT: 268.32874
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)OC)C(=O)OC)C
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Product OPENEYE NAME: N'-(4-chlorobenzoyl)-4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
CAS Name: N'-[(4-chlorophenyl)-oxomethyl]-4-methoxyimino-3-(methylthio)-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
IUPAC NAME: N'-(4-chlorobenzoyl)-4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
SYSTEMATIC NAME: N'-(4-chlorophenyl)carbonyl-4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
MOLECULAR FORMULA: C18H18ClN3O3S2
MOLECULAR WEIGHT: 423.93682
SMILES: CON=C1CCCC2=C(SC(=C21)SC)C(=O)NNC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-allyl-2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CAS Name: 2-[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-prop-2-enylacetamide
IUPAC NAME: 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C13H16BrN5O2S
MOLECULAR WEIGHT: 386.26744
SMILES: CC1=C(C(=NN1CC2=NN=C(O2)SCC(=O)NCC=C)C)Br
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Product OPENEYE NAME: 2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CAS Name: 2-[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,4-dichlorophenyl)acetamide
IUPAC NAME: 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)ethanamide
MOLECULAR FORMULA: C16H14BrCl2N5O2S
MOLECULAR WEIGHT: 491.18966
SMILES: CC1=C(C(=NN1CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C)Br
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Product OPENEYE NAME: 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-N-(2-thienylmethyl)methanimine
CAS Name: 1-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-N-(thiophen-2-ylmethyl)methanimine
IUPAC NAME: 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-N-(thiophen-2-ylmethyl)methanimine
SYSTEMATIC NAME: 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-N-(thiophen-2-ylmethyl)methanimine
MOLECULAR FORMULA: C14H13NS3
MOLECULAR WEIGHT: 291.45472
SMILES: CC1=CSC2=C1C(=C(S2)C=NCC3=CC=CS3)C
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Product OPENEYE NAME: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-methyl-3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H13N3S3
MOLECULAR WEIGHT: 295.44672
SMILES: CN1C(=NNC1=S)C2=C3CCC=CC3=C(S2)SC
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Product OPENEYE NAME: 1-methyl-3-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]thiourea
CAS Name: 1-methyl-3-[[[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]thiourea
MOLECULAR FORMULA: C12H15N3OS3
MOLECULAR WEIGHT: 313.462
SMILES: CNC(=S)NNC(=O)C1=C2CCC=CC2=C(S1)SC
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