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Substance Name: Ethanethioic acid, ((2-methylphenyl)amino)-, S-(5-(4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl) ester
RN: 127227-38-7
InChIKey: DUZLRSBBOSSRBY-RGVLZGJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H20-N6-O2-S2

Molecular Weight

  • 488.594
 
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Names and Synonyms

Synonym

  • BRN 4219030

Systematic Name

  • Ethanethioic acid, ((2-methylphenyl)amino)-, S-(5-(4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl) ester

Registry Numbers

CAS Registry Number

  • 127227-38-7

System Generated Number

  • 0127227387

Structure Descriptors

InChI

1S/C24H20N6O2S2/c1-14-7-3-5-9-18(14)26-13-21(31)33-24-29-28-23(34-24)30-15(2)27-20(22(30)32)11-16-12-25-19-10-6-4-8-17(16)19/h3-12,25-26H,13H2,1-2H3/b20-11+

InChIKey

DUZLRSBBOSSRBY-RGVLZGJSSA-N

Smiles

Cc1ccccc1NCC(=O)Sc2nnc(s2)N3C(=N/C(=C/c4c[nH]c5c4cccc5)/C3=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 29, Pg. 85, 1990.