N-[3-[3-(azepan-2-ylmethyl)phenoxy]propyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-[3-(azepan-2-ylmethyl)phenoxy]propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[3-[3-(azepan-2-ylmethyl)phenoxy]propyl]-2-benzylsulfanyl-acetamide CAS Name: N-[3-[3-(2-azepanylmethyl)phenoxy]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: N-[3-[3-(azepan-2-ylmethyl)phenoxy]propyl]-2-benzylsulfanylacetamide Traditional Name: N-[3-[3-(azepan-2-ylmethyl)phenoxy]propyl]-2-(benzylthio)acetamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CCC(NCC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2S/c28-25(20-30-19-21-9-3-1-4-10-21)27-15-8-16-29-24-13-7-11-22(18-24)17-23-12-5-2-6-14-26-23/h1,3-4,7,9-11,13,18,23,26H,2,5-6,8,12,14-17,19-20H2,(H,27,28)