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Substance Name: 1H-Pyrazole-1-carbothioamide, 2,3-dihydro-5-methyl-3-oxo-2-((4-oxo-phenyl-2-thioxo-5-thiazolidinylidene)methyl)-N-phenyl-
RN: 96911-59-0
InChIKey: BSXLVGKLDTXPTO-AQTBWJFISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-N4-O2-S3

Molecular Weight

  • 454.5972
 
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Names and Synonyms

Synonym

  • BRN 5166191

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96911-59-0

System Generated Number

  • 0096911590

Structure Descriptors

InChI

1S/C21H18N4O2S3/c1-14-11-19(27)24(25(14)20(28)22-15-5-3-2-4-6-15)13-18-12-23(21(29)30-18)16-7-9-17(26)10-8-16/h2-9,11,13H,10,12H2,1H3,(H,22,28)/b18-13-

InChIKey

BSXLVGKLDTXPTO-AQTBWJFISA-N

Smiles

n1(n(C(=S)Nc2ccccc2)c(cc1=O)C)/C=C1\SC(=S)N(C2=CCC(=O)C=C2)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 90, 1985.