methyl 2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H20N4O2S/c1-24-17(23)14-6-2-3-7-15(14)20-18(25)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h2-9H,10-13H2,1H3,(H,20,25)