2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-piperazin-1-yl-ethanone

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-piperazin-1-yl-ethanone Openeye Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]-1-piperazin-1-yl-ethanone CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]-1-(1-piperazinyl)ethanone IUPAC Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-piperazin-1-ylethanone Traditional Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]-1-piperazino-ethanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCNCC4)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCNCC4)SC)O

InChI

InChI=1S/C22H24N2O4S/c1-27-19-13-15(4-5-17(19)25)21-22(29-2)16-11-14(3-6-18(16)28-21)12-20(26)24-9-7-23-8-10-24/h3-6,11,13,23,25H,7-10,12H2,1-2H3