2-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetate Formula: C20H20FN2O4S- MolecularWeight: 403.447203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OCC(=O)[O-]

InChI

InChI=1S/C20H21FN2O4S/c1-26-18-12-14(2-7-17(18)27-13-19(24)25)20(28)23-10-8-22(9-11-23)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,24,25)/p-1