1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-[(4-ethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-(p-phenetylthio)ethanone Formula: C21H22ClFN2O3S MolecularWeight: 436.927383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C21H22ClFN2O3S/c1-2-28-16-4-6-17(7-5-16)29-14-20(26)24-9-11-25(12-10-24)21(27)18-13-15(22)3-8-19(18)23/h3-8,13H,2,9-12,14H2,1H3