Chem
J-GLOBAL ID：200907094996571860   Nikkaji number：J600.235H

1,3-Dihydro-5,6-dihydroxy-N-(4-chlorophenethyl)-2H-isoindole-2-carbothioamide

1,3-ジヒドロ-5,6-ジヒドロキシ-N-(4-クロロフェネチル)-2H-イソインドール-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： C17H17ClN2O2S
Molecular formula furigana： C17-H17-CL-N2-O2-S
Molecular weight： 348.850
InChI： InChI=1S/C17H17ClN2O2S/c18-14-3-1-11(2-4-14)5-6-19-17(23)20-9-12-7-15(21)16(22)8-13(12)10-20/h1-4,7-8,21-22H,5-6,9-10H2,(H,19,23)
InChI key： SHPGALYGTBWDRH-UHFFFAOYSA-N
SMILES： Oc1cc2CN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Systematic name  (3)：
  • 1,3-ジヒドロ-5,6-ジヒドロキシ-N-(4-クロロフェネチル)-2H-イソインドール-2-カルボチオアミド
  • N-[2-(4-クロロフェニル)エチル]-5,6-ジヒドロキシ-2,3-ジヒドロ-1H-イソインドール-2-カルボチオアミド
  • N-[2-(4-chlorophenyl)ethyl]-5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carbothioamide
Other name (1)：
  • 1,3-Dihydro-5,6-dihydroxy-N-(4-chlorophenethyl)-2H-isoindole-2-carbothioamide
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