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Substance Name: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-5-oxo-2-(2-(phenylamino)ethyl)-4-(phenylmethylene)-, (phenylmethylene)hydrazide
RN: 109901-81-7
InChIKey: AAXSJKSIOJNHMM-BTLNULKBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H23-N5-O-S

Molecular Weight

  • 453.5677
 
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Names and Synonyms

Synonym

  • BRN 6015168

Systematic Name

  • 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-5-oxo-2-(2-(phenylamino)ethyl)-4-(phenylmethylene)-, (phenylmethylene)hydrazide

Registry Numbers

CAS Registry Number

  • 109901-81-7

System Generated Number

  • 0109901817

Structure Descriptors

InChI

1S/C26H23N5OS/c32-25-23(18-20-10-4-1-5-11-20)29-24(16-17-27-22-14-8-3-9-15-22)31(25)26(33)30-28-19-21-12-6-2-7-13-21/h1-15,18-19,27H,16-17H2,(H,30,33)/b23-18+,28-19+

InChIKey

AAXSJKSIOJNHMM-BTLNULKBSA-N

Smiles

c1ccc(cc1)/C=C/2\C(=O)N(C(=N2)CCNc3ccccc3)C(=S)N/N=C/c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 500mg/kg (500mg/kg)   Pharmazie. Vol. 42, Pg. 269, 1987.