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Substance Name: 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
RN: 100476-58-2
InChIKey: NXDXZCKLGNBCPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-N3-O-S2

Molecular Weight

  • 389.5015
 
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Names and Synonyms

Synonyms

  • 3-(((4-(2-Benzoxazoyl)phenyl)amino)methyl)-2(3H)-benzothiazolethione
  • BRN 6002983

Systematic Name

  • 2(3H)-Benzothiazolethione, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 100476-58-2

System Generated Number

  • 0100476582

Structure Descriptors

InChI

1S/C21H15N3OS2/c26-21-24(17-6-2-4-8-19(17)27-21)13-22-15-11-9-14(10-12-15)20-23-16-5-1-3-7-18(16)25-20/h1-12,22H,13H2

InChIKey

NXDXZCKLGNBCPE-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(o2)c3ccc(cc3)NCn4c5ccccc5sc4=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 280, 1985.