Thursday, March 29, 2012

http://ChemLookup.com Compounds




CAS RN: 144-54-7
CAS Name: methylcarbamodithioic acid
OPENEYE Name: methylcarbamodithioic acid
IUPAC Name: methylcarbamodithioic acid
SYSTEMATIC NAME: methylcarbamodithioic acid
MOLECULAR FORMULA: C2H5NS2
MOLECULAR WEIGHT: 107.1978
SMILES: CNC(=S)S
Structure:

CAS RN: 7000-48-8
CAS Name: (2-pyrazinylmethylideneamino)thiourea
OPENEYE Name: (pyrazin-2-ylmethyleneamino)thiourea
IUPAC Name: (pyrazin-2-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(pyrazin-2-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: C1=CN=C(C=N1)C=NNC(=S)N
Structure:

CAS RN: 6964-10-9
CAS Name: 5-amino-4-phenyl-3H-thiazole-2-thione
OPENEYE Name: 5-amino-4-phenyl-3H-thiazole-2-thione
IUPAC Name: 5-amino-4-phenyl-3H-1,3-thiazole-2-thione
SYSTEMATIC NAME: 5-azanyl-4-phenyl-3H-1,3-thiazole-2-thione
MOLECULAR FORMULA: C9H8N2S2
MOLECULAR WEIGHT: 208.30322
SMILES: C1=CC=C(C=C1)C2=C(SC(=S)N2)N
Structure:

CAS RN: 66280-25-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O6
MOLECULAR WEIGHT: 388.45412
SMILES: C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)O)OC)OC)OC)OC)O
Structure:

CAS RN: 5448-46-4
CAS Name: 6,7-dimethoxy-1H-cinnoline-4-thione
OPENEYE Name: 6,7-dimethoxy-1H-cinnoline-4-thione
IUPAC Name: 6,7-dimethoxy-1H-cinnoline-4-thione
SYSTEMATIC NAME: 6,7-dimethoxy-1H-cinnoline-4-thione
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: COC1=C(C=C2C(=C1)C(=S)C=NN2)OC
Structure:

CAS RN: 165550-01-6
CAS Name: 2-[2-methoxy-5-[[propan-2-yloxy(sulfanylidene)methyl]amino]phenyl]acetic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[5-(isopropoxycarbothioylamino)-2-methoxy-phenyl]acetate
IUPAC Name: propan-2-yl 2-[2-methoxy-5-(propan-2-yloxycarbothioylamino)phenyl]acetate
SYSTEMATIC NAME: propan-2-yl 2-[2-methoxy-5-(propan-2-yloxycarbothioylamino)phenyl]ethanoate
MOLECULAR FORMULA: C16H23NO4S
MOLECULAR WEIGHT: 325.42312
SMILES: CC(C)OC(=O)CC1=C(C=CC(=C1)NC(=S)OC(C)C)OC
Structure:

CAS RN: 165550-00-5
CAS Name: N-[4-chloro-3-(2-methylprop-2-enoxy)phenyl]carbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N-[4-chloro-3-(2-methylallyloxy)phenyl]carbamothioate
IUPAC Name: O-propan-2-yl N-[4-chloro-3-(2-methylprop-2-enoxy)phenyl]carbamothioate
SYSTEMATIC NAME: O-propan-2-yl N-[4-chloranyl-3-(2-methylprop-2-enoxy)phenyl]carbamothioate
MOLECULAR FORMULA: C14H18ClNO2S
MOLECULAR WEIGHT: 299.81622
SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC(=C)C
Structure:

CAS RN: 165549-99-5
CAS Name: N-(4-cyano-3-prop-2-enoxyphenyl)carbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N-(3-allyloxy-4-cyano-phenyl)carbamothioate
IUPAC Name: O-propan-2-yl N-(4-cyano-3-prop-2-enoxyphenyl)carbamothioate
SYSTEMATIC NAME: O-propan-2-yl N-(4-cyano-3-prop-2-enoxy-phenyl)carbamothioate
MOLECULAR FORMULA: C14H16N2O2S
MOLECULAR WEIGHT: 276.35404
SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)OCC=C
Structure:

CAS RN: 165549-98-4
CAS Name: 2-chloro-5-[[propan-2-yloxy(sulfanylidene)methyl]amino]benzoic acid 2,4-dimethylpentan-3-yl ester
OPENEYE Name: (1-isopropyl-2-methyl-propyl) 2-chloro-5-(isopropoxycarbothioylamino)benzoate
IUPAC Name: 2,4-dimethylpentan-3-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
SYSTEMATIC NAME: 2,4-dimethylpentan-3-yl 2-chloranyl-5-(propan-2-yloxycarbothioylamino)benzoate
MOLECULAR FORMULA: C18H26ClNO3S
MOLECULAR WEIGHT: 371.92194
SMILES: CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl
Structure:

CAS RN: 165549-97-3
CAS Name: 5-[[butan-2-yloxy(sulfanylidene)methyl]amino]-2-chlorobenzoic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-chloro-5-(sec-butoxycarbothioylamino)benzoate
IUPAC Name: tert-butyl 5-(butan-2-yloxycarbothioylamino)-2-chlorobenzoate
SYSTEMATIC NAME: tert-butyl 5-(butan-2-yloxycarbothioylamino)-2-chloranyl-benzoate
MOLECULAR FORMULA: C16H22ClNO3S
MOLECULAR WEIGHT: 343.86878
SMILES: CCC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)(C)C
Structure:

CAS RN: 165549-94-0
CAS Name: N-(4-chloro-3-prop-2-ynoxyphenyl)carbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N-(4-chloro-3-prop-2-ynoxy-phenyl)carbamothioate
IUPAC Name: O-propan-2-yl N-(4-chloro-3-prop-2-ynoxyphenyl)carbamothioate
SYSTEMATIC NAME: O-propan-2-yl N-(4-chloranyl-3-prop-2-ynoxy-phenyl)carbamothioate
MOLECULAR FORMULA: C13H14ClNO2S
MOLECULAR WEIGHT: 283.77376
SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC#C
Structure:

CAS RN: 165549-93-9
CAS Name: 2-[2-chloro-5-[[propan-2-yloxy(sulfanylidene)methyl]amino]phenoxy]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[2-chloro-5-(isopropoxycarbothioylamino)phenoxy]propanoate
IUPAC Name: ethyl 2-[2-chloro-5-(propan-2-yloxycarbothioylamino)phenoxy]propanoate
SYSTEMATIC NAME: ethyl 2-[2-chloranyl-5-(propan-2-yloxycarbothioylamino)phenoxy]propanoate
MOLECULAR FORMULA: C15H20ClNO4S
MOLECULAR WEIGHT: 345.8416
SMILES: CCOC(=O)C(C)OC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl
Structure:

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