ethyl 3-(2-pyridin-2-ylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(2-pyridin-2-ylethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-[2-(2-pyridyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(2-pyridinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-pyridin-2-ylethylcarbamothioylamino)benzoate Traditional Name: 3-[2-(2-pyridyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CC=N2

InChI

InChI=1S/C17H19N3O2S/c1-2-22-16(21)13-6-5-8-15(12-13)20-17(23)19-11-9-14-7-3-4-10-18-14/h3-8,10,12H,2,9,11H2,1H3,(H2,19,20,23)