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Substance Name: Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester
RN: 105858-94-4
InChIKey: IEIRTQHMYQQWSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O2-S2

Molecular Weight

  • 431.622
 
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Names and Synonyms

Synonyms

  • BRN 6006443
  • Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105858-94-4

System Generated Number

  • 0105858944

Structure Descriptors

InChI

1S/C22H29N3O2S2/c1-5-25(6-2)22(28)29-16-21(23-17-8-12-19(26-4)13-9-17)24-18-10-14-20(15-11-18)27-7-3/h8-15H,5-7,16H2,1-4H3,(H,23,24)

InChIKey

IEIRTQHMYQQWSP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1270mg/kg (1270mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 720, 1987.