Sunday, September 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: diethyl 2-[3-[2-(2-methylpropanoyloxymethoxy)-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-thioxo-butyl]propanedioate
CAS Name: 2-[3-[2-[(2-methyl-1-oxopropoxy)methoxy]-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidenebutyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[3-[2-(2-methylpropanoyloxymethoxy)-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidenebutyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[3-[2-(2-methylpropanoyloxymethoxy)-3,5,6-tris(oxidanylidene)-2-azabicyclo[2.2.0]hexan-4-yl]-2-sulfanylidene-butyl]propanedioate
MOLECULAR FORMULA: C21H27NO10S
MOLECULAR WEIGHT: 485.50478
SMILES: CCOC(=O)C(CC(=S)C(C)C12C(C(=O)C1=O)N(C2=O)OCOC(=O)C(C)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[2-[2-hydroxy-2-[2-(2-methylpropanoyloxymethoxy)-2-oxo-ethyl]-4-oxo-azetidin-1-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[2-[2-hydroxy-2-[2-[(2-methyl-1-oxopropoxy)methoxy]-2-oxoethyl]-4-oxo-1-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[2-hydroxy-2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-oxoazetidin-1-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[2-[2-(2-methylpropanoyloxymethoxy)-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-azetidin-1-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C21H31NO11S
MOLECULAR WEIGHT: 505.53594
SMILES: CCOC(=O)C(CSC(=O)C(C)N1C(=O)CC1(CC(=O)OCOC(=O)C(C)C)O)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[2-[2-[1-hydroxy-2-[nitro(phenyl)methoxy]-2-oxo-ethyl]-4-oxo-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
CAS Name: 2-[[[2-[2-[1-hydroxy-2-[nitro(phenyl)methoxy]-2-oxoethyl]-4-oxo-2-azetidinyl]-1-oxopropyl]thio]methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[2-[2-[1-hydroxy-2-[nitro(phenyl)methoxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoylsulfanylmethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-[2-[2-[nitro(phenyl)methoxy]-1-oxidanyl-2-oxidanylidene-ethyl]-4-oxidanylidene-azetidin-2-yl]propanoylsulfanylmethyl]propanedioate
MOLECULAR FORMULA: C23H28N2O11S
MOLECULAR WEIGHT: 540.54022
SMILES: CCOC(=O)C(CSC(=O)C(C)C1(CC(=O)N1)C(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])O)C(=O)OCC
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate
SYSTEMATIC NAME: ethanedioic acid; N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate
MOLECULAR FORMULA: C22H28N2O6S
MOLECULAR WEIGHT: 448.53252
SMILES: CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.C(=O)(C(=O)O)O.O
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide
SYSTEMATIC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide
MOLECULAR FORMULA: C20H24N2OS
MOLECULAR WEIGHT: 340.48236
SMILES: CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2
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Product OPENEYE NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine hydrochloride
CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-propylphenyl]-N-methylethanamine hydrochloride
IUPAC NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propylphenyl]-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H23Cl2NS
MOLECULAR WEIGHT: 356.35292
SMILES: CCCC1=C(C=CC=C1SC2=CC=C(C=C2)Cl)CCNC.Cl
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Product OPENEYE NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine
CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-propylphenyl]-N-methylethanamine
IUPAC NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propylphenyl]-N-methylethanamine
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C18H22ClNS
MOLECULAR WEIGHT: 319.89198
SMILES: CCCC1=C(C=CC=C1SC2=CC=C(C=C2)Cl)CCNC
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Product OPENEYE NAME: 6-(3-aminopropyl)cyclohexa-2,4-diene-1-thione
CAS Name: 6-(3-aminopropyl)-1-cyclohexa-2,4-dienethione
IUPAC NAME: 6-(3-aminopropyl)cyclohexa-2,4-diene-1-thione
SYSTEMATIC NAME: 6-(3-azanylpropyl)cyclohexa-2,4-diene-1-thione
MOLECULAR FORMULA: C9H13NS
MOLECULAR WEIGHT: 167.27122
SMILES: C1=CC(C(=S)C=C1)CCCN
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Product OPENEYE NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine hydrochloride
CAS Name: N-methyl-2-[2-[4-(phenylthio)butyl]phenyl]ethanamine hydrochloride
IUPAC NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine hydrochloride
SYSTEMATIC NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine hydrochloride
MOLECULAR FORMULA: C19H26ClNS
MOLECULAR WEIGHT: 335.93444
SMILES: CNCCC1=CC=CC=C1CCCCSC2=CC=CC=C2.Cl
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Product OPENEYE NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine
CAS Name: N-methyl-2-[2-[4-(phenylthio)butyl]phenyl]ethanamine
IUPAC NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine
SYSTEMATIC NAME: N-methyl-2-[2-(4-phenylsulfanylbutyl)phenyl]ethanamine
MOLECULAR FORMULA: C19H25NS
MOLECULAR WEIGHT: 299.4735
SMILES: CNCCC1=CC=CC=C1CCCCSC2=CC=CC=C2
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Product OPENEYE NAME: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
CAS Name: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
IUPAC NAME: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
SYSTEMATIC NAME: N-(3-azanylpropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: C1=CC=C(C=C1)N(CCCN)C(=O)C2=C3C(=CC=C2)S3
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Product OPENEYE NAME: 2-[2-butyl-3-(1-naphthylsulfanyl)phenyl]ethanamine
CAS Name: 2-[2-butyl-3-(1-naphthalenylthio)phenyl]ethanamine
IUPAC NAME: 2-(2-butyl-3-naphthalen-1-ylsulfanylphenyl)ethanamine
SYSTEMATIC NAME: 2-(2-butyl-3-naphthalen-1-ylsulfanyl-phenyl)ethanamine
MOLECULAR FORMULA: C22H25NS
MOLECULAR WEIGHT: 335.5056
SMILES: CCCCC1=C(C=CC=C1SC2=CC=CC3=CC=CC=C32)CCN
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Product OPENEYE NAME: 2-[2-[5-(4-fluorophenyl)sulfanylpentyl]phenyl]-N-methyl-ethanamine
CAS Name: 2-[2-[5-[(4-fluorophenyl)thio]pentyl]phenyl]-N-methylethanamine
IUPAC NAME: 2-[2-[5-(4-fluorophenyl)sulfanylpentyl]phenyl]-N-methylethanamine
SYSTEMATIC NAME: 2-[2-[5-(4-fluorophenyl)sulfanylpentyl]phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C20H26FNS
MOLECULAR WEIGHT: 331.490543
SMILES: CNCCC1=CC=CC=C1CCCCCSC2=CC=C(C=C2)F
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