Chem
J-GLOBAL ID：200907069139493257   Nikkaji number：J2.075.502D

N-[2-[2-[3-(4-Isothiocyanatophenyl)thioureido]ethyldithio]ethyl]propiolamide

N-[2-[2-[3-(4-イソチオシアナトフェニル)チオウレイド]エチルジチオ]エチル]プロピオルアミド
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： C15H16N4OS4
Molecular formula furigana： C15-H16-N4-O-S4
Molecular weight： 396.560
InChI： InChI=1S/C15H16N4OS4/c1-2-14(20)16-7-9-23-24-10-8-17-15(22)19-13-5-3-12(4-6-13)18-11-21/h1,3-6H,7-10H2,(H,16,20)(H2,17,19,22)
InChI key： VDCXZZWBCXLMOH-UHFFFAOYSA-N
SMILES： O=C(NCCSSCCNC(=S)Nc1ccc(cc1)N=C=S)C#C
Systematic name  (3)：
  • N-[2-[2-[3-(4-イソチオシアナトフェニル)チオウレイド]エチルジチオ]エチル]プロピオルアミド
  • N-{2-[(2-{[(4-イソチオシアナトフェニル)カルバモチオイル]アミノ}エチル)ジスルファニル]エチル}プロパ-2-インアミド
  • N-{2-[(2-{[(4-isothiocyanatophenyl)carbamothioyl]amino}ethyl)disulfanyl]ethyl}prop-2-ynamide
Other name (1)：
  • N-[2-[2-[3-(4-Isothiocyanatophenyl)thioureido]ethyldithio]ethyl]propiolamide
Thsaurus map：
Thesaurus Map

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