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

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-[4-cyano-3-(methylthio)phenyl]phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-[4-cyano-3-(methylthio)phenyl]phenyl]ethyl]pipecolinamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1