Saturday, July 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (1E)-N-carbamothioylpropanehydrazonate
CAS Name: (1E)-N-carbamothioylpropanehydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioylpropanehydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioylpropanehydrazonate
MOLECULAR FORMULA: C6H13N3OS
MOLECULAR WEIGHT: 175.25192
SMILES: CC/C(=N\NC(=S)N)/OCC
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Product OPENEYE NAME: ethyl (1E)-N-carbamothioylbutanehydrazonate
CAS Name: (1E)-N-carbamothioylbutanehydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioylbutanehydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioylbutanehydrazonate
MOLECULAR FORMULA: C7H15N3OS
MOLECULAR WEIGHT: 189.2785
SMILES: CCC/C(=N\NC(=S)N)/OCC
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Product OPENEYE NAME: 4-benzoyl-3-cyclohexyl-2-oxo-5-phenyl-imidazolidine-1-sulfonyl chloride
CAS Name: 4-benzoyl-3-cyclohexyl-2-oxo-5-phenyl-1-imidazolidinesulfonyl chloride
IUPAC NAME: 4-benzoyl-3-cyclohexyl-2-oxo-5-phenylimidazolidine-1-sulfonyl chloride
SYSTEMATIC NAME: 3-cyclohexyl-2-oxidanylidene-5-phenyl-4-(phenylcarbonyl)imidazolidine-1-sulfonyl chloride
MOLECULAR FORMULA: C22H23ClN2O4S
MOLECULAR WEIGHT: 446.94702
SMILES: C1CCC(CC1)N2C(C(N(C2=O)S(=O)(=O)Cl)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (NZ)-N-(6-cyclohexyl-5,7-diphenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene)sulfamoyl chloride
CAS Name: (NZ)-N-(6-cyclohexyl-5,7-diphenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene)sulfamoyl chloride
IUPAC NAME: (NZ)-N-(6-cyclohexyl-5,7-diphenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene)sulfamoyl chloride
SYSTEMATIC NAME: (NZ)-N-(6-cyclohexyl-5,7-diphenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene)sulfamoyl chloride
MOLECULAR FORMULA: C22H23ClN2O4S
MOLECULAR WEIGHT: 446.94702
SMILES: C1CCC(CC1)N2C(C3C2(O/C(=N\S(=O)(=O)Cl)/O3)C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: (NZ)-N-[6-cyclohexyl-7-phenyl-5-(p-tolyl)-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene]sulfamoyl chloride
CAS Name: (NZ)-N-[6-cyclohexyl-5-(4-methylphenyl)-7-phenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene]sulfamoyl chloride
IUPAC NAME: (NZ)-N-[6-cyclohexyl-5-(4-methylphenyl)-7-phenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene]sulfamoyl chloride
SYSTEMATIC NAME: (NZ)-N-[6-cyclohexyl-5-(4-methylphenyl)-7-phenyl-2,4-dioxa-6-azabicyclo[3.2.0]heptan-3-ylidene]sulfamoyl chloride
MOLECULAR FORMULA: C23H25ClN2O4S
MOLECULAR WEIGHT: 460.9736
SMILES: CC1=CC=C(C=C1)C23C(C(N2C4CCCCC4)C5=CC=CC=C5)O/C(=N/S(=O)(=O)Cl)/O3
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Product OPENEYE NAME: tert-butyl 5-(imidazole-1-carbonyl)-2-oxo-1H-pyridine-3-carboxylate
CAS Name: 5-[1-imidazolyl(oxo)methyl]-2-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-(imidazole-1-carbonyl)-2-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: tert-butyl 5-imidazol-1-ylcarbonyl-2-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C14H15N3O4
MOLECULAR WEIGHT: 289.2866
SMILES: CC(C)(C)OC(=O)C1=CC(=CNC1=O)C(=O)N2C=CN=C2
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Product OPENEYE NAME: N-[1-(2-amino-3-methoxy-phenyl)ethyl]piperidin-1-amine
CAS Name: N-[1-(2-amino-3-methoxyphenyl)ethyl]-1-piperidinamine
IUPAC NAME: N-[1-(2-amino-3-methoxyphenyl)ethyl]piperidin-1-amine
SYSTEMATIC NAME: N-[1-(2-azanyl-3-methoxy-phenyl)ethyl]piperidin-1-amine
MOLECULAR FORMULA: C14H23N3O
MOLECULAR WEIGHT: 249.35192
SMILES: CC(C1=C(C(=CC=C1)OC)N)NN2CCCCC2
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Product OPENEYE NAME: 2-[(E)-N-(azepan-1-yl)-C-methyl-carbonimidoyl]aniline
CAS Name: 2-[(1E)-1-(1-azepanylimino)ethyl]aniline
IUPAC NAME: 2-[(E)-N-(azepan-1-yl)-C-methylcarbonimidoyl]aniline
SYSTEMATIC NAME: 2-[(E)-N-(azepan-1-yl)-C-methyl-carbonimidoyl]aniline
MOLECULAR FORMULA: C14H21N3
MOLECULAR WEIGHT: 231.33664
SMILES: C/C(=N\N1CCCCCC1)/C2=CC=CC=C2N
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Product OPENEYE NAME: 2-methoxy-6-[(E)-C-methyl-N-(1-piperidyl)carbonimidoyl]aniline
CAS Name: 2-methoxy-6-[(1E)-1-(1-piperidinylimino)ethyl]aniline
IUPAC NAME: 2-methoxy-6-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SYSTEMATIC NAME: 2-methoxy-6-[(E)-C-methyl-N-piperidin-1-yl-carbonimidoyl]aniline
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: C/C(=N\N1CCCCC1)/C2=C(C(=CC=C2)OC)N
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Product OPENEYE NAME: 2-[(E)-C-phenyl-N-(1-piperidyl)carbonimidoyl]aniline
CAS Name: 2-[(E)-phenyl(1-piperidinylimino)methyl]aniline
IUPAC NAME: 2-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]aniline
SYSTEMATIC NAME: 2-[(E)-C-phenyl-N-piperidin-1-yl-carbonimidoyl]aniline
MOLECULAR FORMULA: C18H21N3
MOLECULAR WEIGHT: 279.37944
SMILES: C1CCN(CC1)/N=C(\C2=CC=CC=C2)/C3=CC=CC=C3N
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Product OPENEYE NAME: 8-methoxy-4-methyl-3-(1-piperidyl)-1,4-dihydroquinazolin-2-one
CAS Name: 8-methoxy-4-methyl-3-(1-piperidinyl)-1,4-dihydroquinazolin-2-one
IUPAC NAME: 8-methoxy-4-methyl-3-piperidin-1-yl-1,4-dihydroquinazolin-2-one
SYSTEMATIC NAME: 8-methoxy-4-methyl-3-piperidin-1-yl-1,4-dihydroquinazolin-2-one
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: CC1C2=C(C(=CC=C2)OC)NC(=O)N1N3CCCCC3
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Product OPENEYE NAME: 2-amino-4-bromo-benzenethiolate
CAS Name: 2-amino-4-bromobenzenethiolate
IUPAC NAME: 2-amino-4-bromobenzenethiolate
SYSTEMATIC NAME: 2-azanyl-4-bromanyl-benzenethiolate
MOLECULAR FORMULA: C6H5BrNS-
MOLECULAR WEIGHT: 203.0796
SMILES: C1=CC(=C(C=C1Br)N)[S-]
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Product OPENEYE NAME: methyl (4R)-4-formyl-5-methyl-heptanoate
CAS Name: (4R)-4-formyl-5-methylheptanoic acid methyl ester
IUPAC NAME: methyl (4R)-4-formyl-5-methylheptanoate
SYSTEMATIC NAME: methyl (4R)-4-methanoyl-5-methyl-heptanoate
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CCC(C)[C@@H](CCC(=O)OC)C=O
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Product OPENEYE NAME: N-[(3aR,9aS)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-ylidene]sulfamoyl chloride
CAS Name: N-[(3aR,9aS)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-ylidene]sulfamoyl chloride
IUPAC NAME: N-[(3aR,9aS)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-ylidene]sulfamoyl chloride
SYSTEMATIC NAME: N-[(3aR,9aS)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-ylidene]sulfamoyl chloride
MOLECULAR FORMULA: C9H14ClNO4S
MOLECULAR WEIGHT: 267.72976
SMILES: C1CCC[C@H]2[C@@H](CC1)OC(=NS(=O)(=O)Cl)O2
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Product OPENEYE NAME: (NZ)-N-(2',2'-dimethylspiro[1,3-dioxolane-4,3'-norbornane]-2-ylidene)sulfamoyl chloride
CAS Name: (NZ)-N-(2',2'-dimethyl-2-spiro[1,3-dioxolane-4,3'-bicyclo[2.2.1]heptane]ylidene)sulfamoyl chloride
IUPAC NAME: (NZ)-N-(2',2'-dimethylspiro[1,3-dioxolane-4,3'-bicyclo[2.2.1]heptane]-2-ylidene)sulfamoyl chloride
SYSTEMATIC NAME: (NZ)-N-(2',2'-dimethylspiro[1,3-dioxolane-4,3'-bicyclo[2.2.1]heptane]-2-ylidene)sulfamoyl chloride
MOLECULAR FORMULA: C11H16ClNO4S
MOLECULAR WEIGHT: 293.76704
SMILES: CC1(C2CCC(C2)C13CO/C(=N/S(=O)(=O)Cl)/O3)C
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