Chem
J-GLOBAL ID:200907049187906139   Nikkaji number:J1.119.553I

(3S)-3-[3-(Methylthio)propylamino]-5-[4-(methylthio)benzyl]-2,3,4,5-tetrahydro-4-oxo-1,5-benzothiazepine-7-carboxamide

(3S)-3-[3-(メチルチオ)プロピルアミノ]-5-[4-(メチルチオ)ベンジル]-2,3,4,5-テトラヒドロ-4-オキソ-1,5-ベンゾチアゼピン-7-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: C22H27N3O2S3
Molecular formula furigana: C22-H27-N3-O2-S3
Molecular weight: 461.660
InChI: InChI=1S/C22H27N3O2S3/c1-28-11-3-10-24-18-14-30-20-9-6-16(21(23)26)12-19(20)25(22(18)27)13-15-4-7-17(29-2)8-5-15/h4-9,12,18,24H,3,10-11,13-14H2,1-2H3,(H2,23,26)/t18-/m1/s1
InChI key: NBTRPCNAKZSADY-GOSISDBHSA-N
SMILES: CSCCCN[C@@H]1CSc2ccc(cc2N(Cc2ccc(SC)cc2)C1=O)C(=O)N
Systematic name  (3):
  • (3S)-3-[3-(メチルチオ)プロピルアミノ]-5-[4-(メチルチオ)ベンジル]-2,3,4,5-テトラヒドロ-4-オキソ-1,5-ベンゾチアゼピン-7-カルボアミド
  • (3S)-5-{[4-(メチルスルファニル)フェニル]メチル}-3-{[3-(メチルスルファニル)プロピル]アミノ}-4-オキソ-2,3,4,5-テトラヒドロ-1,5-ベンゾチアゼピン-7-カルボキサミド
  • (3S)-5-{[4-(methylsulfanyl)phenyl]methyl}-3-{[3-(methylsulfanyl)propyl]amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxamide
Other name (1):
  • (3S)-3-[3-(Methylthio)propylamino]-5-[4-(methylthio)benzyl]-2,3,4,5-tetrahydro-4-oxo-1,5-benzothiazepine-7-carboxamide
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