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Substance Name: Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-
RN: 10022-76-1
InChIKey: PHRQKKKGFUMGRZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-S

Molecular Weight

  • 294.42
 
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Names and Synonyms

Synonyms

  • 5-22-10-00082 (Beilstein Handbook Reference)
  • BRN 0417878
  • N-(2-(1H-Indol-3-yl)ethyl)benzeneethanethioamide
  • N-(2-(3-Indolyl)ethyl)-2-phenylthioacetamide

Systematic Name

  • Benzeneethanethioamide, N-(2-(1H-indol-3-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 10022-76-1

System Generated Number

  • 0010022761

Structure Descriptors

InChI

1S/C18H18N2S/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17/h1-9,13,20H,10-12H2,(H,19,21)

InChIKey

PHRQKKKGFUMGRZ-UHFFFAOYSA-N

Smiles

c1(ccccc1)CC(NCCc1c[nH]c2ccccc12)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 589mg/kg (589mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.