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Substance Name: 1H-Pyrazole-1-carbothioamide, N-(4-ethoxyphenyl)-2,3-dihydro-5-methyl-3-oxo-2-((4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl)-
RN: 96911-65-8
InChIKey: ASWMVZITLTYXGD-RGEXLXHISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-N4-O3-S3

Molecular Weight

  • 496.634
 
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Names and Synonyms

Synonym

  • BRN 5183294

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96911-65-8

System Generated Number

  • 0096911658

Structure Descriptors

InChI

1S/C23H20N4O3S3/c1-3-30-18-11-9-16(10-12-18)24-22(31)27-15(2)13-20(28)25(27)14-19-21(29)26(23(32)33-19)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,31)/b19-14-

InChIKey

ASWMVZITLTYXGD-RGEXLXHISA-N

Smiles

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