3-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-(4-methylsulfanylbenzoyl)-4-piperidyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[[4-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[4-(methylthio)benzoyl]-4-piperidyl]-N-(3-pyridylmethyl)propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

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