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Substance Name: 2-Propenamide, 2-cyano-N-(4-methyl-2-benzothiazolyl)-3-phenyl-
RN: 160893-89-0
InChIKey: DJIQZBPFNJXAHS-GXDHUFHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-N3-O-S

Molecular Weight

  • 319.3867
 
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Names and Synonyms

Synonym

  • 2-Cyano-N-(4-methyl-2-benzothiazolyl)-3-phenyl-2-propenamide

Systematic Name

  • 2-Propenamide, 2-cyano-N-(4-methyl-2-benzothiazolyl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 160893-89-0

System Generated Number

  • 0160893890

Structure Descriptors

InChI

1S/C18H13N3OS/c1-12-6-5-9-15-16(12)20-18(23-15)21-17(22)14(11-19)10-13-7-3-2-4-8-13/h2-10H,1H3,(H,20,21,22)/b14-10+

InChIKey

DJIQZBPFNJXAHS-GXDHUFHOSA-N

Smiles

Cc1cccc2c1nc(s2)NC(=O)/C(=C/c3ccccc3)/C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmazie. Vol. 49, Pg. 880, 1994.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmazie. Vol. 49, Pg. 880, 1994.