Chem
J-GLOBAL ID：200907013284558841   Nikkaji number：J2.197.518D

YM-198313

N-[2-(メチルチオ)ベンジル]-3-オキシラト-5-(1-フェニルエチルチオ)イソチアゾール-4-カルボアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H19N2O[O-]S3
Molecular formula furigana： C20-H19-N2-O2-S3
Molecular weight： 415.560
InChI： InChI=1S/C20H20N2O2S3/c1-13(14-8-4-3-5-9-14)26-20-17(19(24)22-27-20)18(23)21-12-15-10-6-7-11-16(15)25-2/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)/p-1
InChI key： LLGARGGHHSMJBF-UHFFFAOYSA-M
SMILES： CSc1ccccc1CNC(=O)c1c([O-])nsc1SC(C)c1ccccc1
Systematic name  (3)：
  • N-[2-(メチルチオ)ベンジル]-3-オキシラト-5-(1-フェニルエチルチオ)イソチアゾール-4-カルボアミド
  • 4-({[2-(メチルスルファニル)フェニル]メチル}カルバモイル)-5-[(1-フェニルエチル)スルファニル]-1,2-チアゾール-3-オラート
  • 4-({[2-(methylsulfanyl)phenyl]methyl}carbamoyl)-5-[(1-phenylethyl)sulfanyl]-1,2-thiazol-3-olate
Other name (2)：
  • N-[2-(Methylthio)benzyl]-3-oxylato-5-(1-phenylethylthio)isothiazole-4-carboxamide
  • YM-198313
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