2-(4-butylphenyl)-2-[4-[3-(4-methylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide

Systemtic Name: 2-(4-butylphenyl)-2-[4-[3-(4-methylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide Openeye Name: 2-(4-butylphenyl)-2-[4-[2-hydroxy-3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]acetamide CAS Name: 2-(4-butylphenyl)-2-[4-[2-hydroxy-3-[4-(methylthio)phenoxy]propyl]-1-piperazinyl]acetamide IUPAC Name: 2-(4-butylphenyl)-2-[4-[2-hydroxy-3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]acetamide Traditional Name: 2-(4-butylphenyl)-2-[4-[2-hydroxy-3-[4-(methylthio)phenoxy]propyl]piperazino]acetamide Formula: C26H37N3O3S MolecularWeight: 471.65528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(=O)N)N2CCN(CC2)CC(COC3=CC=C(C=C3)SC)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(=O)N)N2CCN(CC2)CC(COC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C26H37N3O3S/c1-3-4-5-20-6-8-21(9-7-20)25(26(27)31)29-16-14-28(15-17-29)18-22(30)19-32-23-10-12-24(33-2)13-11-23/h6-13,22,25,30H,3-5,14-19H2,1-2H3,(H2,27,31)