[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C20H24N4O4S/c1-4-9-21-19(27)24-17(25)11-28-18(26)16-8-6-5-7-15(16)12-29-20-22-13(2)10-14(3)23-20/h5-8,10H,4,9,11-12H2,1-3H3,(H2,21,24,25,27)