1-[3-fluoranyl-4-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(methylthio)benzoyl]piperazino]phenyl]ethanone Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)F

InChI

InChI=1S/C20H21FN2O2S/c1-14(24)15-7-8-18(17(21)13-15)22-9-11-23(12-10-22)20(25)16-5-3-4-6-19(16)26-2/h3-8,13H,9-12H2,1-2H3