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

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylthiophen-3-yl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methyl-3-thienyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methyl-3-thiophenyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methylthiophen-3-yl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-methyl-3-thienyl)phenyl]ethyl]pipecolinamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1C2=CC=C(C=C2)CC(C#N)NC(=O)C3CCCCN3

Isomeric SMILES

CC1=CSC=C1C2=CC=C(C=C2)C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3

InChI

InChI=1S/C20H23N3OS/c1-14-12-25-13-18(14)16-7-5-15(6-8-16)10-17(11-21)23-20(24)19-4-2-3-9-22-19/h5-8,12-13,17,19,22H,2-4,9-10H2,1H3,(H,23,24)/t17-,19-/m0/s1