1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-[(4-fluorophenyl)thio]ethanone Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN2O3S/c22-17-2-4-18(5-3-17)28-15-21(25)24-9-7-23(8-10-24)14-16-1-6-19-20(13-16)27-12-11-26-19/h1-6,13H,7-12,14-15H2