(2S)-N-[(1S)-1-cyano-2-[4-(3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-[3-(methylthio)phenyl]phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-[3-(methylthio)phenyl]phenyl]ethyl]pipecolinamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C#N)NC(=O)C3CCCCN3

Isomeric SMILES

CSC1=CC=CC(=C1)C2=CC=C(C=C2)C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3

InChI

InChI=1S/C22H25N3OS/c1-27-20-6-4-5-18(14-20)17-10-8-16(9-11-17)13-19(15-23)25-22(26)21-7-2-3-12-24-21/h4-6,8-11,14,19,21,24H,2-3,7,12-13H2,1H3,(H,25,26)/t19-,21-/m0/s1