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

Systemtic Name: (2S)-2-acetamido-N-phenethyl-N-(phenylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-phenethyl-N-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-[[3-(trifluoromethyl)phenyl]thio]propionamide Formula: C27H27F3N2O2S MolecularWeight: 500.57569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)C(F)(F)F)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H27F3N2O2S/c1-20(33)31-25(19-35-24-14-8-13-23(17-24)27(28,29)30)26(34)32(18-22-11-6-3-7-12-22)16-15-21-9-4-2-5-10-21/h2-14,17,25H,15-16,18-19H2,1H3,(H,31,33)/t25-/m1/s1