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Substance Name: 1H-Pyrazole-1-carbothioamide, 2,3-dihydro-5-methyl-N-(2-methylphenyl)-3-oxo-2-((4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl)-
RN: 96911-62-5
InChIKey: MBZBIDZCYGSJBR-AQTBWJFISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-N4-O2-S3

Molecular Weight

  • 466.6082
 
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Names and Synonyms

Synonym

  • BRN 5173995

Systematic Name

  • 1H-Pyrazole-1-carbothioamide, 2,3-dihydro-5-methyl-N-(2-methylphenyl)-3-oxo-2-((4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 96911-62-5

System Generated Number

  • 0096911625

Structure Descriptors

InChI

1S/C22H18N4O2S3/c1-14-8-6-7-11-17(14)23-21(29)26-15(2)12-19(27)24(26)13-18-20(28)25(22(30)31-18)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,23,29)/b18-13-

InChIKey

MBZBIDZCYGSJBR-AQTBWJFISA-N

Smiles

n1(n(C(=S)Nc2c(C)cccc2)c(cc1=O)C)/C=C1/C(=O)N(C(=S)S1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 90, 1985.