(2S,4R)-N-tert-butyl-4-(pyridin-4-ylmethylsulfanyl)piperidine-2-carboxamide

Systemtic Name: (2S,4R)-N-tert-butyl-4-(pyridin-4-ylmethylsulfanyl)piperidine-2-carboxamide Openeye Name: (2S,4R)-N-tert-butyl-4-(4-pyridylmethylsulfanyl)piperidine-2-carboxamide CAS Name: (2S,4R)-N-tert-butyl-4-(pyridin-4-ylmethylthio)-2-piperidinecarboxamide IUPAC Name: (2S,4R)-N-tert-butyl-4-(pyridin-4-ylmethylsulfanyl)piperidine-2-carboxamide Traditional Name: (2S,4R)-N-tert-butyl-4-(4-pyridylmethylthio)pipecolinamide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1)SCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1)SCC2=CC=NC=C2

InChI

InChI=1S/C16H25N3OS/c1-16(2,3)19-15(20)14-10-13(6-9-18-14)21-11-12-4-7-17-8-5-12/h4-5,7-8,13-14,18H,6,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1