Chem
J-GLOBAL ID:200907018105149928   Nikkaji number:J291.780G

N-Methyl-N-[(1S,2S)-2β-(1-pyrrolidinyl)cyclohexan-1α-yl]-4-isothiocyanatobenzeneacetamide

2-(4-イソチオシアナトフェニル)-N-メチル-N-[(1S,2S)-2-(ピロリジン-1-イル)シクロヘキシル]アセトアミド
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: C20H27N3OS
Molecular formula furigana: C20-H27-N3-O-S
Molecular weight: 357.520
InChI: InChI=1S/C20H27N3OS/c1-22(18-6-2-3-7-19(18)23-12-4-5-13-23)20(24)14-16-8-10-17(11-9-16)21-15-25/h8-11,18-19H,2-7,12-14H2,1H3/t18-,19-/m0/s1
InChI key: QNXAPTVJOCKJHU-OALUTQOASA-N
SMILES: CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(cc1)N=C=S
Systematic name  (3):
  • N-メチル-N-[(1S,2S)-2β-(1-ピロリジニル)シクロヘキサン-1α-イル]-4-イソチオシアナトベンゼンアセトアミド
  • 2-(4-イソチオシアナトフェニル)-N-メチル-N-[(1S,2S)-2-(ピロリジン-1-イル)シクロヘキシル]アセトアミド
  • 2-(4-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide
Other name (1):
  • N-Methyl-N-[(1S,2S)-2β-(1-pyrrolidinyl)cyclohexan-1α-yl]-4-isothiocyanatobenzeneacetamide
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