2-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetate Formula: C20H20ClN2O4S- MolecularWeight: 419.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-26-18-11-14(5-6-17(18)27-13-19(24)25)20(28)23-9-7-22(8-10-23)16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,24,25)/p-1