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Substance Name: 1H-Pyrazole-1-carbothioamide, N-(4-chlorophenyl)-2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-
RN: 96911-67-0
InChIKey: YMFZCSADABNRTA-BOPFTXTBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H14-C12-N4-O2-S3

Molecular Weight

  • 521.4716
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 96911-67-0

System Generated Number

  • 0096911670

Structure Descriptors

InChI

1S/C21H14Cl2N4O2S3/c1-12-10-18(28)25(27(12)20(30)24-15-6-2-13(22)3-7-15)11-17-19(29)26(21(31)32-17)16-8-4-14(23)5-9-16/h2-11H,1H3,(H,24,30)/b17-11-

InChIKey

YMFZCSADABNRTA-BOPFTXTBSA-N

Smiles

n1(n(C(=S)Nc2ccc(Cl)cc2)c(cc1=O)C)/C=C1/C(=O)N(C(=S)S1)c1ccc(cc1)Cl

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.