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Substance Name: Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester
RN: 105858-89-7
InChIKey: VBOBICYJIZDBSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O-S2

Molecular Weight

  • 401.596
 
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Names and Synonyms

Synonyms

  • BRN 5990823
  • Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester

Systematic Name

  • Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester

Registry Numbers

CAS Registry Number

  • 105858-89-7

System Generated Number

  • 0105858897

Structure Descriptors

InChI

1S/C21H27N3OS2/c1-4-24(5-2)21(26)27-16-20(22-17-10-8-7-9-11-17)23-18-12-14-19(15-13-18)25-6-3/h7-15H,4-6,16H2,1-3H3,(H,22,23)

InChIKey

VBOBICYJIZDBSY-UHFFFAOYSA-N

Smiles

C(\Nc1ccc(OCC)cc1)(=N\c1ccccc1)CSC(N(CC)CC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 720, 1987.