2-[(4-cyanophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N3O2S/c26-17-21-8-10-22(11-9-21)19-31-20-25(29)27-12-5-15-30-24-7-4-6-23(16-24)18-28-13-2-1-3-14-28/h4,6-11,16H,1-3,5,12-15,18-20H2,(H,27,29)