6-(phenylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide

Systemtic Name: 6-(phenylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide Openeye Name: 6-benzylsulfanyl-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]hexanamide CAS Name: 6-(phenylmethylthio)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]hexanamide IUPAC Name: 6-benzylsulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide Traditional Name: 6-(benzylthio)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]hexanamide Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCCCSCC3=CC=CC=C3

InChI

InChI=1S/C28H40N2O2S/c31-28(16-6-2-9-21-33-24-25-12-4-1-5-13-25)29-17-11-20-32-27-15-10-14-26(22-27)23-30-18-7-3-8-19-30/h1,4-5,10,12-15,22H,2-3,6-9,11,16-21,23-24H2,(H,29,31)