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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-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-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)C)C

InChI

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