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Substance Name: Benzamide, N-methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitro-
RN: 77051-82-2
InChIKey: QJLYGOBFQQPLTL-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-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide

Systematic Name

  • Benzamide, N-methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 77051-82-2

System Generated Number

  • 0077051822

Structure Descriptors

InChI

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

InChIKey

QJLYGOBFQQPLTL-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])C(N([C@@H]1[C@@H](NC(Nc2ccc(C)cc2)=S)CCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmacological Research Communications. Vol. 13, Pg. 65, 1981.