2-(phenylmethylsulfanyl)-N-[(6-piperidin-1-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[(6-piperidin-1-ylpyridin-3-yl)methyl]propanamide Openeye Name: 2-benzylsulfanyl-N-[[6-(1-piperidyl)-3-pyridyl]methyl]propanamide CAS Name: 2-(phenylmethylthio)-N-[[6-(1-piperidinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 2-benzylsulfanyl-N-[(6-piperidin-1-ylpyridin-3-yl)methyl]propanamide Traditional Name: 2-(benzylthio)-N-[(6-piperidino-3-pyridyl)methyl]propionamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN=C(C=C1)N2CCCCC2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CN=C(C=C1)N2CCCCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17(26-16-18-8-4-2-5-9-18)21(25)23-15-19-10-11-20(22-14-19)24-12-6-3-7-13-24/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,23,25)