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Substance Name: Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, ethyl ester
RN: 88351-74-0
InChIKey: FACSESZSPKMHEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H21-N3-O3-S2

Molecular Weight

  • 463.58
 
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Names and Synonyms

Synonyms

  • 4-((4-(((2-Thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)benzoic acid ethyl ester
  • BRN 4602007

Systematic Name

  • Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 88351-74-0

System Generated Number

  • 0088351740

Structure Descriptors

InChI

1S/C24H21N3O3S2/c1-2-30-23(29)16-10-12-18(13-11-16)26-22(28)17-6-5-7-19(14-17)25-15-27-20-8-3-4-9-21(20)32-24(27)31/h3-14,25H,2,15H2,1H3,(H,26,28)

InChIKey

FACSESZSPKMHEI-UHFFFAOYSA-N

Smiles

c12n(c(=S)sc1cccc2)CNc1cc(C(Nc2ccc(C(OCC)=O)cc2)=O)ccc1

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. 22, Pg. 705, 1983.