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Substance Name: Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
RN: 105858-92-2
InChIKey: SLBDYHWIYUUPTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O-S2

Molecular Weight

  • 415.623
 
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Names and Synonyms

Synonyms

  • BRN 5993636
  • Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105858-92-2

System Generated Number

  • 0105858922

Structure Descriptors

InChI

1S/C22H29N3OS2/c1-5-25(6-2)22(27)28-16-21(23-18-10-8-17(4)9-11-18)24-19-12-14-20(15-13-19)26-7-3/h8-15H,5-7,16H2,1-4H3,(H,23,24)

InChIKey

SLBDYHWIYUUPTA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 850mg/kg (850mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 720, 1987.