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

Systemtic Name: methyl 2-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 2-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 2-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-24-15(23)13-5-2-3-6-14(13)20-17(25)22-11-9-21(10-12-22)16-18-7-4-8-19-16/h2-8H,9-12H2,1H3,(H,20,25)