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Substance Name: Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-nitrophenyl)thioxomethyl)-
RN: 152093-67-9
InChIKey: CCMSCEBJPMCKAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N3-O4-S

Molecular Weight

  • 379.4785
 
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Names and Synonyms

Synonym

  • N,N-Bis(2-methylpropyl)-N'-((4-nitrophenyl)thioxomethyl)propanediamide

Systematic Name

  • Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-nitrophenyl)thioxomethyl)-

Registry Numbers

CAS Registry Number

  • 152093-67-9

System Generated Number

  • 0152093679

Structure Descriptors

InChI

1S/C18H25N3O4S/c1-12(2)10-20(11-13(3)4)17(23)9-16(22)19-18(26)14-5-7-15(8-6-14)21(24)25/h5-8,12-13H,9-11H2,1-4H3,(H,19,22,26)

InChIKey

CCMSCEBJPMCKAA-UHFFFAOYSA-N

Smiles

CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 533mg/kg (533mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.