N-(3-methylphenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide Openeye Name: N-(m-tolyl)-3-[1-[2-(2-pyridylsulfanyl)acetyl]-4-piperidyl]propanamide CAS Name: N-(3-methylphenyl)-3-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-4-piperidinyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]propanamide Traditional Name: N-(m-tolyl)-3-[1-[2-(2-pyridylthio)acetyl]-4-piperidyl]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H27N3O2S/c1-17-5-4-6-19(15-17)24-20(26)9-8-18-10-13-25(14-11-18)22(27)16-28-21-7-2-3-12-23-21/h2-7,12,15,18H,8-11,13-14,16H2,1H3,(H,24,26)