ethyl 3-(pyridin-4-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(pyridin-4-ylcarbonylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(pyridine-4-carbonylcarbamothioylamino)benzoate CAS Name: 3-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(pyridine-4-carbonylcarbamothioylamino)benzoate Traditional Name: 3-(isonicotinoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H15N3O3S/c1-2-22-15(21)12-4-3-5-13(10-12)18-16(23)19-14(20)11-6-8-17-9-7-11/h3-10H,2H2,1H3,(H2,18,19,20,23)