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Substance Name: Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
RN: 105858-91-1
InChIKey: KQUSNIAIFDOOIX-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 5990809
  • Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester

Systematic Name

  • Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester

Registry Numbers

CAS Registry Number

  • 105858-91-1

System Generated Number

  • 0105858911

Structure Descriptors

InChI

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

InChIKey

KQUSNIAIFDOOIX-UHFFFAOYSA-N

Smiles

C(\Nc1ccc(OC)cc1)(=N\c1ccc(C)cc1)CSC(N(CC)CC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 970mg/kg (970mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 720, 1987.