3-(2-phenylethenylsulfanyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]propanamide

Systemtic Name: 3-(2-phenylethenylsulfanyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]propanamide Openeye Name: 3-styrylsulfanyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]propanamide CAS Name: 3-(2-phenylethenylthio)-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]propanamide IUPAC Name: 3-(2-phenylethenylsulfanyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]propanamide Traditional Name: 3-(styrylthio)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]propionamide Formula: C23H21F3N2OS2 MolecularWeight: 462.55085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CSCCC(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C=CSCCC(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C23H21F3N2OS2/c24-23(25,26)21-16-20(18-8-4-5-9-19(18)28-21)31-15-12-27-22(29)11-14-30-13-10-17-6-2-1-3-7-17/h1-10,13,16H,11-12,14-15H2,(H,27,29)