ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(5-cyano-2-pyridyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(5-cyano-2-pyridyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O2S/c1-2-27-19(26)16-4-3-5-17(12-16)23-20(28)25-10-8-24(9-11-25)18-7-6-15(13-21)14-22-18/h3-7,12,14H,2,8-11H2,1H3,(H,23,28)