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Substance Name: 1H-Pyrazole-1-carbothioamide, N-(4-chlorophenyl)-2,3-dihydro-5-methyl-3-oxo-2-((4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl)-
RN: 96911-60-3
InChIKey: XPZQDMQIWQWNOD-ATVHPVEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-Cl-N4-O2-S3

Molecular Weight

  • 487.0265
 
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Names and Synonyms

Synonym

  • BRN 5178788

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96911-60-3

System Generated Number

  • 0096911603

Structure Descriptors

InChI

1S/C21H15ClN4O2S3/c1-13-11-18(27)24(26(13)20(29)23-15-9-7-14(22)8-10-15)12-17-19(28)25(21(30)31-17)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,29)/b17-12-

InChIKey

XPZQDMQIWQWNOD-ATVHPVEESA-N

Smiles

n1(n(C(=S)Nc2ccc(Cl)cc2)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.