N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[3-[3-(piperidinomethyl)phenoxy]propyl]-2-(4-pyridylthio)acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O2S/c26-22(18-28-21-8-11-23-12-9-21)24-10-5-15-27-20-7-4-6-19(16-20)17-25-13-2-1-3-14-25/h4,6-9,11-12,16H,1-3,5,10,13-15,17-18H2,(H,24,26)