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Substance Name: Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
RN: 111093-27-7
InChIKey: OABZBKNMYFHBNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-N2-O5-S

Molecular Weight

  • 422.4592
 
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Names and Synonyms

Synonym

  • O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate

Systematic Name

  • Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester

Registry Numbers

CAS Registry Number

  • 111093-27-7

System Generated Number

  • 0111093277

Structure Descriptors

InChI

1S/C22H18N2O5S/c1-2-29-16-9-11-20(23-22(26)30)18(13-16)17-10-8-15(24(27)28)12-19(17)21(25)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,23,26,30)

InChIKey

OABZBKNMYFHBNZ-UHFFFAOYSA-N

Smiles

CCOc1ccc(c(c1)c2ccc(cc2C(=O)c3ccccc3)[N+](=O)[O-])NC(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of the Indian Chemical Society. Vol. 64, Pg. 46, 1987.