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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H27N3O2S/c1-28-20-4-2-3-19(14-20)23-22(26)16-25-10-8-24(9-11-25)15-17-5-6-21-18(13-17)7-12-27-21/h2-6,13-14H,7-12,15-16H2,1H3,(H,23,26)