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Substance Name: Carbamodithioic acid, diethyl-, 3-oxo-1,3-diphenyl-1-propenyl ester
RN: 63521-71-1
InChIKey: ITERTJGIJHHXOU-XDJHFCHBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O-S2

Molecular Weight

  • 355.524
 
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Names and Synonyms

Synonyms

  • 1,3-Diphenyl-1-(N,N-diethyldithiocarbamoyl)-1-propen-3-one
  • 3-Oxo-1,3-diphenyl-1-propenyl diethylcarbamodithioate
  • BRN 4515633
  • Diethylcarbamodithioic acid 3-oxo-1,3-diphenyl-1-propenyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63521-71-1

System Generated Number

  • 0063521711

Structure Descriptors

InChI

1S/C20H21NOS2/c1-3-21(4-2)20(23)24-19(17-13-9-6-10-14-17)15-18(22)16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b19-15+

InChIKey

ITERTJGIJHHXOU-XDJHFCHBSA-N

Smiles

C(\c1ccccc1)(=C/C(c1ccccc1)=O)SC(N(CC)CC)=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.