2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(4-fluorobenzoyl)piperazino]ethanone Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O4S/c22-16-3-1-15(2-4-16)21(26)24-9-7-23(8-10-24)20(25)14-29-17-5-6-18-19(13-17)28-12-11-27-18/h1-6,13H,7-12,14H2