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

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-[(4-fluorophenyl)thio]ethanone Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN2O2S/c22-18-2-4-19(5-3-18)27-15-21(25)24-10-8-23(9-11-24)14-16-1-6-20-17(13-16)7-12-26-20/h1-6,13H,7-12,14-15H2