diethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]propanedioate

Systemtic Name: diethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]propanedioate Openeye Name: diethyl 2-[(4-methylbenzoyl)carbamothioylamino]propanedioate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methylbenzoyl)carbamothioylamino]propanedioate Traditional Name: 2-(p-toluoylthiocarbamoylamino)malonic acid diethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=S)NC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=S)NC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H20N2O5S/c1-4-22-14(20)12(15(21)23-5-2)17-16(24)18-13(19)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H2,17,18,19,24)