(3S)-N-(3-methylsulfanylpropyl)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-methylsulfanylpropyl)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-methylsulfanylpropyl)-6-oxo-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(methylthio)propyl]-6-oxo-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-methylsulfanylpropyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[3-(methylthio)propyl]-1-(2-pyridylmethyl)nipecotamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1CCC(=O)N(C1)CC2=CC=CC=N2

Isomeric SMILES

CSCCCNC(=O)[C@H]1CCC(=O)N(C1)CC2=CC=CC=N2

InChI

InChI=1S/C16H23N3O2S/c1-22-10-4-9-18-16(21)13-6-7-15(20)19(11-13)12-14-5-2-3-8-17-14/h2-3,5,8,13H,4,6-7,9-12H2,1H3,(H,18,21)/t13-/m0/s1