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

Systemtic Name: ethyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 3-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 3-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-2-25-16(24)14-5-3-6-15(13-14)21-18(26)23-11-9-22(10-12-23)17-19-7-4-8-20-17/h3-8,13H,2,9-12H2,1H3,(H,21,26)