1-[3-(methylsulfanylmethyl)phenyl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(methylsulfanylmethyl)phenyl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[3-(methylsulfanylmethyl)benzoyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(methylsulfanylmethyl)benzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[3-[(methylthio)methyl]benzoyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-27-15-16-4-2-6-19(12-16)21(26)24-10-7-18(8-11-24)20(25)23-14-17-5-3-9-22-13-17/h2-6,9,12-13,18H,7-8,10-11,14-15H2,1H3,(H,23,25)