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

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]ethanone CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]ethanone Formula: C29H30N2O4S MolecularWeight: 502.6245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCN(CC4)CC5=CC=CC=C5)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCN(CC4)CC5=CC=CC=C5)SC)O

InChI

InChI=1S/C29H30N2O4S/c1-34-26-18-22(9-10-24(26)32)28-29(36-2)23-16-21(8-11-25(23)35-28)17-27(33)31-14-12-30(13-15-31)19-20-6-4-3-5-7-20/h3-11,16,18,32H,12-15,17,19H2,1-2H3