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

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetic acid Formula: C20H21FN2O4S MolecularWeight: 404.455143

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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)