2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide Traditional Name: N-[3-[3-(piperidinomethyl)phenoxy]propyl]-2-(piperonylthio)acetamide Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H32N2O4S/c28-25(18-32-17-21-8-9-23-24(15-21)31-19-30-23)26-10-5-13-29-22-7-4-6-20(14-22)16-27-11-2-1-3-12-27/h4,6-9,14-15H,1-3,5,10-13,16-19H2,(H,26,28)