4-(phenylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(phenylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-benzylsulfanyl-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-(phenylmethylthio)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-benzylsulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(benzylthio)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O2S/c29-26(14-8-19-31-22-23-10-3-1-4-11-23)27-15-9-18-30-25-13-7-12-24(20-25)21-28-16-5-2-6-17-28/h1,3-4,7,10-13,20H,2,5-6,8-9,14-19,21-22H2,(H,27,29)