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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-(coumaran-5-ylmethyl)piperazino]acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2S/c28-24(25-9-15-30-19-20-4-2-1-3-5-20)18-27-12-10-26(11-13-27)17-21-6-7-23-22(16-21)8-14-29-23/h1-7,16H,8-15,17-19H2,(H,25,28)