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

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[(4-methoxyphenyl)methylthio]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(p-anisylthio)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CSCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C27H38N2O3S/c1-31-25-13-11-23(12-14-25)22-33-19-6-10-27(30)28-15-7-18-32-26-9-5-8-24(20-26)21-29-16-3-2-4-17-29/h5,8-9,11-14,20H,2-4,6-7,10,15-19,21-22H2,1H3,(H,28,30)