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

Systemtic Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[4-(methylthio)benzyl]-4-piperidyl]-N-(3-pyridylmethyl)propionamide Formula: C22H29N3OS MolecularWeight: 383.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-27-21-7-4-19(5-8-21)17-25-13-10-18(11-14-25)6-9-22(26)24-16-20-3-2-12-23-15-20/h2-5,7-8,12,15,18H,6,9-11,13-14,16-17H2,1H3,(H,24,26)