ethyl 4,6-dimethyl-2-(phenylcarbonylcarbamothioylamino)pyridine-3-carboxylate

Systemtic Name: ethyl 4,6-dimethyl-2-(phenylcarbonylcarbamothioylamino)pyridine-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4,6-dimethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4,6-dimethyl-nicotinic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C)C)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C)C)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19N3O3S/c1-4-24-17(23)14-11(2)10-12(3)19-15(14)20-18(25)21-16(22)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H2,19,20,21,22,25)