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Substance Name: Benzamide, N-(2-((((3,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-
RN: 77051-84-4
InChIKey: RQNPKHVVALTJHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N4-O3-S

Molecular Weight

  • 426.538
 
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Names and Synonyms

Synonym

  • N-(2-((((3,5-Dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitrobenzamide

Systematic Name

  • Benzamide, N-(2-((((3,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 77051-84-4

System Generated Number

  • 0077051844

Structure Descriptors

InChI

1S/C22H26N4O3S/c1-14-11-15(2)13-16(12-14)23-22(30)24-18-8-6-10-20(18)25(3)21(27)17-7-4-5-9-19(17)26(28)29/h4-5,7,9,11-13,18,20H,6,8,10H2,1-3H3,(H2,23,24,30)

InChIKey

RQNPKHVVALTJHZ-UHFFFAOYSA-N

Smiles

N([C@@H]1[C@@H](NC(Nc2cc(cc(c2)C)C)=S)CCC1)(C(c1c(cccc1)[N+](=O)[O-])=O)C

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.