ethyl 2-methyl-5-(phenylcarbonylcarbamothioylamino)pyridine-4-carboxylate

Systemtic Name: ethyl 2-methyl-5-(phenylcarbonylcarbamothioylamino)pyridine-4-carboxylate Openeye Name: ethyl 5-(benzoylcarbamothioylamino)-2-methyl-pyridine-4-carboxylate CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-methyl-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate Traditional Name: 5-(benzoylthiocarbamoylamino)-2-methyl-isonicotinic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1NC(=S)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1NC(=S)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H17N3O3S/c1-3-23-16(22)13-9-11(2)18-10-14(13)19-17(24)20-15(21)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,19,20,21,24)