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Substance Name: Ethanethioic acid, ((4-methoxyphenyl)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: 127227-42-3
InChIKey: MBKHDUCVWBSHBX-RGVLZGJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H20-N6-O3-S2

Molecular Weight

  • 504.593
 
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Names and Synonyms

Synonym

  • BRN 4219815

Systematic Name

  • Ethanethioic acid, ((4-methoxyphenyl)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

  • 127227-42-3

System Generated Number

  • 0127227423

Structure Descriptors

InChI

1S/C24H20N6O3S2/c1-14-27-20(11-15-12-26-19-6-4-3-5-18(15)19)22(32)30(14)23-28-29-24(35-23)34-21(31)13-25-16-7-9-17(33-2)10-8-16/h3-12,25-26H,13H2,1-2H3/b20-11+

InChIKey

MBKHDUCVWBSHBX-RGVLZGJSSA-N

Smiles

CC1=N/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1c4nnc(s4)SC(=O)CNc5ccc(cc5)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 29, Pg. 85, 1990.