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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-, ((4-(dimethylamino)phenyl)methylene)hydrazide
RN: 109911-98-0
InChIKey: GSKRSPODHBWBGZ-YBHAUQOJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H31-N7-O-S

Molecular Weight

  • 549.6999
 
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Names and Synonyms

Synonym

  • BRN 6030182

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109911-98-0

System Generated Number

  • 0109911980

Structure Descriptors

InChI

1S/C31H31N7OS/c1-21-8-4-6-10-26(21)32-17-16-29-35-28(18-23-20-33-27-11-7-5-9-25(23)27)30(39)38(29)31(40)36-34-19-22-12-14-24(15-13-22)37(2)3/h4-15,18-20,32-33H,16-17H2,1-3H3,(H,36,40)/b28-18+,34-19+

InChIKey

GSKRSPODHBWBGZ-YBHAUQOJSA-N

Smiles

Cc1ccccc1NCCC2=N/C(=C/c3c[nH]c4c3cccc4)/C(=O)N2C(=S)N/N=C/c5ccc(cc5)N(C)C

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.