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

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

Isomeric SMILES

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

InChI

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