2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H31N3O2S/c1-19-2-5-22(6-3-19)30-15-9-25-24(28)18-27-12-10-26(11-13-27)17-20-4-7-23-21(16-20)8-14-29-23/h2-7,16H,8-15,17-18H2,1H3,(H,25,28)