[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(benzofuran-2-carbonyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-[3-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(benzofuran-2-carbonyl)piperazino]-[3-[(methylthio)methyl]phenyl]methanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

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