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Substance Name: 2-Propen-1-one, 3-(2-(2-oxo-2-phenylethyl)-5-(phenylamino)-1,3,4-thiadiazol-3(2H)-yl)-1-phenyl-
RN: 132364-06-8
InChIKey: DOLWAEJRWYRIQO-WUKNDPDISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-N3-O2-S

Molecular Weight

  • 427.5259
 
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Names and Synonyms

Synonyms

  • 3-Benzoylvinyl-2-benzoylmethyl-5-phenylamino-delta-1,3,4-thiadiazoline
  • BRN 4765525

Systematic Name

  • 2-Propen-1-one, 3-(2-(2-oxo-2-phenylethyl)-5-(phenylamino)-1,3,4-thiadiazol-3(2H)-yl)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 132364-06-8

System Generated Number

  • 0132364068

Structure Descriptors

InChI

1S/C25H21N3O2S/c29-22(19-10-4-1-5-11-19)16-17-28-24(18-23(30)20-12-6-2-7-13-20)31-25(27-28)26-21-14-8-3-9-15-21/h1-17,24H,18H2,(H,26,27)/b17-16+

InChIKey

DOLWAEJRWYRIQO-WUKNDPDISA-N

Smiles

c1ccc(cc1)C(=O)CC2N(N=C(S2)Nc3ccccc3)/C=C/C(=O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 2200mg/kg (2200mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 830, 1990.