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Substance Name: Benzamide, N-(2-((((3,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-
RN: 77051-90-2
InChIKey: KAKUXXPSRPHHFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N4-O3-S

Molecular Weight

  • 426.5384
 
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Names and Synonyms

Synonym

  • N-(2-((((3,5-Dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitrobenzamide

Systematic Name

  • Benzamide, N-(2-((((3,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 77051-90-2

System Generated Number

  • 0077051902

Structure Descriptors

InChI

1S/C22H26N4O3S/c1-14-11-15(2)13-17(12-14)23-22(30)24-19-5-4-6-20(19)25(3)21(27)16-7-9-18(10-8-16)26(28)29/h7-13,19-20H,4-6H2,1-3H3,(H2,23,24,30)

InChIKey

KAKUXXPSRPHHFE-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1)NC(=S)NC2CCCC2N(C)C(=O)c3ccc(cc3)[N+](=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.