ethyl 3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 3-[[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 3-[[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C19H20N4O2S/c1-2-25-18(24)16-7-3-8-17(12-16)22-19(26)23(11-5-9-20)14-15-6-4-10-21-13-15/h3-4,6-8,10,12-13H,2,5,11,14H2,1H3,(H,22,26)