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Substance Name: Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester
RN: 60786-07-4
InChIKey: VQTAEQLELBRDDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N2-O2-S2

Molecular Weight

  • 380.5742
 
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Names and Synonyms

Synonym

  • Phenylmethyl (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)carbamodithioate

Systematic Name

  • Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester

Registry Numbers

CAS Registry Number

  • 60786-07-4

System Generated Number

  • 0060786074

Structure Descriptors

InChI

1S/C19H28N2O2S2/c1-14(2)11-21(12-15(3)4)18(23)10-17(22)20-19(24)25-13-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,20,22,24)

InChIKey

VQTAEQLELBRDDF-UHFFFAOYSA-N

Smiles

CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)SCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1733mg/kg (1733mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.