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

Systemtic Name: 2-[4-[3-(2-butylsulfanylphenyl)sulfanyl-2-oxidanyl-propyl]piperazin-1-yl]-2-(3-chlorophenyl)ethanamide Openeye Name: 2-[4-[3-(2-butylsulfanylphenyl)sulfanyl-2-hydroxy-propyl]piperazin-1-yl]-2-(3-chlorophenyl)acetamide CAS Name: 2-[4-[3-[[2-(butylthio)phenyl]thio]-2-hydroxypropyl]-1-piperazinyl]-2-(3-chlorophenyl)acetamide IUPAC Name: 2-[4-[3-(2-butylsulfanylphenyl)sulfanyl-2-hydroxypropyl]piperazin-1-yl]-2-(3-chlorophenyl)acetamide Traditional Name: 2-[4-[3-[[2-(butylthio)phenyl]thio]-2-hydroxy-propyl]piperazino]-2-(3-chlorophenyl)acetamide Formula: C25H34ClN3O2S2 MolecularWeight: 508.13936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1SCC(CN2CCN(CC2)C(C3=CC(=CC=C3)Cl)C(=O)N)O

Isomeric SMILES

CCCCSC1=CC=CC=C1SCC(CN2CCN(CC2)C(C3=CC(=CC=C3)Cl)C(=O)N)O

InChI

InChI=1S/C25H34ClN3O2S2/c1-2-3-15-32-22-9-4-5-10-23(22)33-18-21(30)17-28-11-13-29(14-12-28)24(25(27)31)19-7-6-8-20(26)16-19/h4-10,16,21,24,30H,2-3,11-15,17-18H2,1H3,(H2,27,31)