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Substance Name: 1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-N-(2-ethoxyphenyl)-2,3-dihydro-5-methyl-3-oxo-
RN: 96911-71-6
InChIKey: DLWMFZZTIYVAMI-UYRXBGFRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H19-Cl-N4-O3-S3

Molecular Weight

  • 531.0791
 
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Names and Synonyms

Synonym

  • BRN 5191561

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96911-71-6

System Generated Number

  • 0096911716

Structure Descriptors

InChI

1S/C23H19ClN4O3S3/c1-3-31-18-7-5-4-6-17(18)25-22(32)28-14(2)12-20(29)26(28)13-19-21(30)27(23(33)34-19)16-10-8-15(24)9-11-16/h4-13H,3H2,1-2H3,(H,25,32)/b19-13-

InChIKey

DLWMFZZTIYVAMI-UYRXBGFRSA-N

Smiles

n1(n(C(=S)Nc2c(OCC)cccc2)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 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 90, 1985.