2-[4-[3-(2-butylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[4-[3-(2-butylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-[3-(2-butylsulfanylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-(4-chlorophenyl)acetamide CAS Name: 2-[4-[3-[2-(butylthio)phenoxy]-2-hydroxypropyl]-1-piperazinyl]-2-(4-chlorophenyl)acetamide IUPAC Name: 2-[4-[3-(2-butylsulfanylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-(4-chlorophenyl)acetamide Traditional Name: 2-[4-[3-[2-(butylthio)phenoxy]-2-hydroxy-propyl]piperazino]-2-(4-chlorophenyl)acetamide Formula: C25H34ClN3O3S MolecularWeight: 492.07376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1OCC(CN2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)N)O

Isomeric SMILES

CCCCSC1=CC=CC=C1OCC(CN2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)N)O

InChI

InChI=1S/C25H34ClN3O3S/c1-2-3-16-33-23-7-5-4-6-22(23)32-18-21(30)17-28-12-14-29(15-13-28)24(25(27)31)19-8-10-20(26)11-9-19/h4-11,21,24,30H,2-3,12-18H2,1H3,(H2,27,31)