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Substance Name: Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester
RN: 142646-10-4
InChIKey: HKNLSQCEYUNPNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O5-S

Molecular Weight

  • 361.3765
 
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Names and Synonyms

Synonyms

  • Methyl (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)carbamate
  • N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea

Systematic Name

  • Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 142646-10-4

System Generated Number

  • 0142646104

Structure Descriptors

InChI

1S/C16H15N3O5S/c1-23-16(20)18-15(25)17-13-8-7-12(9-14(13)19(21)22)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,20,25)

InChIKey

HKNLSQCEYUNPNG-UHFFFAOYSA-N

Smiles

COC(=O)NC(=S)Nc1ccc(cc1[N+](=O)[O-])OCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 31, Pg. 370, 1992.