Chem
J-GLOBAL ID：200907090703328376   Nikkaji number：J600.237D

2,3,4,5-Tetrahydro-7,8-dimethoxy-N-(4-chlorophenethyl)-1H-2-benzazepine-2-carbothioamide

2,3,4,5-テトラヒドロ-7,8-ジメトキシ-N-(4-クロロフェネチル)-1H-2-ベンゾアゼピン-2-カルボチオアミド
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： C21H25ClN2O2S
Molecular formula furigana： C21-H25-CL-N2-O2-S
Molecular weight： 404.950
InChI： InChI=1S/C21H25ClN2O2S/c1-25-19-12-16-4-3-11-24(14-17(16)13-20(19)26-2)21(27)23-10-9-15-5-7-18(22)8-6-15/h5-8,12-13H,3-4,9-11,14H2,1-2H3,(H,23,27)
InChI key： CGVKRCOFUCGURG-UHFFFAOYSA-N
SMILES： COc1cc2CCCN(Cc2cc1OC)C(=S)NCCc1ccc(Cl)cc1
Systematic name  (3)：
  • 2,3,4,5-テトラヒドロ-7,8-ジメトキシ-N-(4-クロロフェネチル)-1H-2-ベンゾアゼピン-2-カルボチオアミド
  • N-[2-(4-クロロフェニル)エチル]-7,8-ジメトキシ-2,3,4,5-テトラヒドロ-1H-2-ベンゾアゼピン-2-カルボチオアミド
  • N-[2-(4-chlorophenyl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carbothioamide
Other name (1)：
  • 2,3,4,5-Tetrahydro-7,8-dimethoxy-N-(4-chlorophenethyl)-1H-2-benzazepine-2-carbothioamide
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