2-[4-[3-(4-butylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-butylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-butylsulfanylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[3-[4-(butylthio)phenoxy]-2-hydroxypropyl]-1-piperazinyl]-2-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-butylsulfanylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-[4-(butylthio)phenoxy]-2-hydroxy-propyl]piperazino]-2-(2,6-dimethylphenyl)acetamide Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=C(C=CC=C3C)C)C(=O)N)O

Isomeric SMILES

CCCCSC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=C(C=CC=C3C)C)C(=O)N)O

InChI

InChI=1S/C27H39N3O3S/c1-4-5-17-34-24-11-9-23(10-12-24)33-19-22(31)18-29-13-15-30(16-14-29)26(27(28)32)25-20(2)7-6-8-21(25)3/h6-12,22,26,31H,4-5,13-19H2,1-3H3,(H2,28,32)