1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-2-(o-tolylthio)ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O3S/c1-16-6-2-5-9-20(16)28-15-21(25)23-10-12-24(13-11-23)22(26)19-14-17-7-3-4-8-18(17)27-19/h2-9,14H,10-13,15H2,1H3