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

Systemtic Name: 3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-piperazin-1-yl-propan-1-one Openeye Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]-1-piperazin-1-yl-propan-1-one CAS Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]-1-(1-piperazinyl)-1-propanone IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-piperazin-1-ylpropan-1-one Traditional Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]-1-piperazino-propan-1-one Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-28-20-14-16(5-6-18(20)26)22-23(30-2)17-13-15(3-7-19(17)29-22)4-8-21(27)25-11-9-24-10-12-25/h3,5-7,13-14,24,26H,4,8-12H2,1-2H3