ethyl 3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-2-25-18(24)15-6-5-7-16(14-15)21-19(26)23-12-10-22(11-13-23)17-8-3-4-9-20-17/h3-9,14H,2,10-13H2,1H3,(H,21,26)