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Substance Name: Carbamodithioic acid, dibutyl-, 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester
RN: 106128-42-1
InChIKey: ADONIAMNULUWPI-HEHNFIMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O-S3

Molecular Weight

  • 417.659
 
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Names and Synonyms

Synonyms

  • BRN 5606966
  • Dibutylcarbamodithioic acid 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester

Systematic Name

  • Carbamodithioic acid, dibutyl-, 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester

Registry Numbers

CAS Registry Number

  • 106128-42-1

System Generated Number

  • 0106128421

Structure Descriptors

InChI

1S/C22H27NOS3/c1-3-5-14-23(15-6-4-2)22(25)27-21(18-11-8-7-9-12-18)17-19(24)20-13-10-16-26-20/h7-13,16-17H,3-6,14-15H2,1-2H3/b21-17+

InChIKey

ADONIAMNULUWPI-HEHNFIMWSA-N

Smiles

C(\c1ccccc1)(=C/C(c1cccs1)=O)SC(N(CCCC)CCCC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 629, 1986.