methyl 3-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 3-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

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