ethyl 3-(pyridin-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(pyridin-2-ylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(2-pyridylmethylcarbamothioylamino)benzoate CAS Name: 3-[[(2-pyridinylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(pyridin-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 3-(2-pyridylmethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=N2

InChI

InChI=1S/C16H17N3O2S/c1-2-21-15(20)12-6-5-8-13(10-12)19-16(22)18-11-14-7-3-4-9-17-14/h3-10H,2,11H2,1H3,(H2,18,19,22)