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

Systemtic Name: 2-[4-[3-(4-methylsulfanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: 2-[4-[2-hydroxy-3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[2-hydroxy-3-[4-(methylthio)phenoxy]propyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-[2-hydroxy-3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]-2-phenylacetamide Traditional Name: 2-[4-[2-hydroxy-3-[4-(methylthio)phenoxy]propyl]piperazino]-2-phenyl-acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)N)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)N)O

InChI

InChI=1S/C22H29N3O3S/c1-29-20-9-7-19(8-10-20)28-16-18(26)15-24-11-13-25(14-12-24)21(22(23)27)17-5-3-2-4-6-17/h2-10,18,21,26H,11-16H2,1H3,(H2,23,27)