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Substance Name: Butanethioic acid, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester
RN: 86910-92-1
InChIKey: JWSNMVZGURQDFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N4-O2-S3

Molecular Weight

  • 368.504
 
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Names and Synonyms

  • Butanethioic acid, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester

Registry Numbers

CAS Registry Number

  • 86910-92-1

System Generated Number

  • 0086910921

Structure Descriptors

InChI

1S/C14H16N4O2S3/c1-3-6-11(19)22-14-18-17-13(23-14)16-12(21)15-9-7-4-5-8-10(9)20-2/h4-5,7-8H,3,6H2,1-2H3,(H2,15,16,17,21)

InChIKey

JWSNMVZGURQDFB-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)NC(Nc1sc(SC(CCC)=O)nn1)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Pharmacological Research Communications. Vol. 15, Pg. 253, 1983.