methyl 2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H20FN3O2S/c1-25-18(24)14-6-2-4-8-16(14)21-19(26)23-12-10-22(11-13-23)17-9-5-3-7-15(17)20/h2-9H,10-13H2,1H3,(H,21,26)