1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-[(4-methoxyphenyl)thio]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O3S/c1-26-19-3-5-20(6-4-19)28-16-22(25)24-11-9-23(10-12-24)15-17-2-7-21-18(14-17)8-13-27-21/h2-7,14H,8-13,15-16H2,1H3