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Substance Name: Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester
RN: 106110-65-0
InChIKey: PTQLXRCRSDAEBG-FCDQGJHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O-S2

Molecular Weight

  • 411.631
 
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Names and Synonyms

Synonyms

  • 1,3-Diphenyl-1-(N,N-dibutyldithiocarbamoyl)-1-propen-3-one
  • BRN 5611518
  • Dibutylcarbamodithioic acid 3-oxo-1,3-diphenyl-1-propenyl ester

Systematic Name

  • Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester

Registry Numbers

CAS Registry Number

  • 106110-65-0

System Generated Number

  • 0106110650

Structure Descriptors

InChI

1S/C24H29NOS2/c1-3-5-17-25(18-6-4-2)24(27)28-23(21-15-11-8-12-16-21)19-22(26)20-13-9-7-10-14-20/h7-16,19H,3-6,17-18H2,1-2H3/b23-19+

InChIKey

PTQLXRCRSDAEBG-FCDQGJHFSA-N

Smiles

C(\c1ccccc1)(=C/C(c1ccccc1)=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.