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Substance Name: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-, (phenylmethylene)hydrazide
RN: 109911-97-9
InChIKey: VFWNKMCSHFUUJN-HDRIVZISSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-N6-O-S

Molecular Weight

  • 506.6314
 
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Names and Synonyms

Synonym

  • BRN 6026375

Systematic Name

  • 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-, (phenylmethylene)hydrazide

Registry Numbers

CAS Registry Number

  • 109911-97-9

System Generated Number

  • 0109911979

Structure Descriptors

InChI

1S/C29H26N6OS/c1-20-9-5-7-13-24(20)30-16-15-27-33-26(17-22-19-31-25-14-8-6-12-23(22)25)28(36)35(27)29(37)34-32-18-21-10-3-2-4-11-21/h2-14,17-19,30-31H,15-16H2,1H3,(H,34,37)/b26-17+,32-18+

InChIKey

VFWNKMCSHFUUJN-HDRIVZISSA-N

Smiles

Cc1ccccc1NCCC2=N/C(=C/c3c[nH]c4c3cccc4)/C(=O)N2C(=S)N/N=C/c5ccccc5

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.