[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H24N4O4S/c1-4-10-20-19(26)21-16(24)11-27-17(25)12-28-18-13(2)22-23(14(18)3)15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H2,20,21,24,26)