Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propenamide, 2-cyano-3-(3-ethoxy-4-methoxy-5-((phenylthio)methyl)phenyl)-
RN: 107788-01-2
InChIKey: UBXCUZDUPXQSMQ-OQLLNIDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O3-S

Molecular Weight

  • 368.455
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-Cyano-3-(3-ethoxy-4-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Systematic Name

  • 2-Propenamide, 2-cyano-3-(3-ethoxy-4-methoxy-5-((phenylthio)methyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 107788-01-2

System Generated Number

  • 0107788012

Structure Descriptors

InChI

1S/C20H20N2O3S/c1-3-25-18-11-14(9-15(12-21)20(22)23)10-16(19(18)24-2)13-26-17-7-5-4-6-8-17/h4-11H,3,13H2,1-2H3,(H2,22,23)/b15-9+

InChIKey

UBXCUZDUPXQSMQ-OQLLNIDSSA-N

Smiles

CCOc1cc(cc(c1OC)CSc2ccccc2)/C=C(\C#N)/C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,