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Substance Name: Benzamide, N-methyl-N-(2-((((2-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitro-
RN: 77051-81-1
InChIKey: HVCHKGBTVIVBRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O3-S

Molecular Weight

  • 412.512
 
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Names and Synonyms

Synonym

  • N-Methyl-N-(2-((((2-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide

Systematic Name

  • Benzamide, N-methyl-N-(2-((((2-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 77051-81-1

System Generated Number

  • 0077051811

Structure Descriptors

InChI

1S/C21H24N4O3S/c1-14-8-3-5-10-16(14)22-21(29)23-17-11-7-13-19(17)24(2)20(26)15-9-4-6-12-18(15)25(27)28/h3-6,8-10,12,17,19H,7,11,13H2,1-2H3,(H2,22,23,29)

InChIKey

HVCHKGBTVIVBRD-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H](N(C(c2c(cccc2)[N+](=O)[O-])=O)C)CC1)NC(Nc1c(cccc1)C)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmacological Research Communications. Vol. 13, Pg. 65, 1981.