[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

InChI

InChI=1S/C19H21N3O4S/c1-3-10-21-19(25)22-16(23)12-26-18(24)15-5-4-11-20-17(15)27-14-8-6-13(2)7-9-14/h4-9,11H,3,10,12H2,1-2H3,(H2,21,22,23,25)