(2S)-2-acetamido-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-phenethyl-3-[[3-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: (2S)-2-acetamido-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-phenethyl-3-[[3-(trifluoromethyl)phenyl]thio]propionamide Formula: C20H21F3N2O2S MolecularWeight: 410.45315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H21F3N2O2S/c1-14(26)25-18(19(27)24-11-10-15-6-3-2-4-7-15)13-28-17-9-5-8-16(12-17)20(21,22)23/h2-9,12,18H,10-11,13H2,1H3,(H,24,27)(H,25,26)/t18-/m1/s1