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Substance Name: Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-
RN: 111044-13-4
InChIKey: QHVKTRHQKRBFJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H14-Br-N3-O3-S

Molecular Weight

  • 456.3186
 
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Names and Synonyms

Synonym

  • N-(2-Benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)thiourea

Systematic Name

  • Thiourea, N-(2-benzoyl-4-nitrophenyl)-N'-(4-bromophenyl)-

Registry Numbers

CAS Registry Number

  • 111044-13-4

System Generated Number

  • 0111044134

Structure Descriptors

InChI

1S/C20H14BrN3O3S/c21-14-6-8-15(9-7-14)22-20(28)23-18-11-10-16(24(26)27)12-17(18)19(25)13-4-2-1-3-5-13/h1-12H,(H2,22,23,28)

InChIKey

QHVKTRHQKRBFJB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)c2cc(ccc2NC(=S)Nc3ccc(cc3)Br)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Journal of the Indian Chemical Society. Vol. 64, Pg. 46, 1987.