3-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-(2-phenylsulfanylacetyl)-4-piperidyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[2-(phenylthio)acetyl]-4-piperidyl]-N-(3-pyridylmethyl)propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NCC2=CN=CC=C2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CCC(=O)NCC2=CN=CC=C2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c26-21(24-16-19-5-4-12-23-15-19)9-8-18-10-13-25(14-11-18)22(27)17-28-20-6-2-1-3-7-20/h1-7,12,15,18H,8-11,13-14,16-17H2,(H,24,26)