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

Systemtic Name: diethyl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]propanedioate Openeye Name: diethyl 2-[(4-methoxybenzoyl)carbamothioylamino]propanedioate CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methoxybenzoyl)carbamothioylamino]propanedioate Traditional Name: 2-(p-anisoylthiocarbamoylamino)malonic acid diethyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S/c1-4-23-14(20)12(15(21)24-5-2)17-16(25)18-13(19)10-6-8-11(22-3)9-7-10/h6-9,12H,4-5H2,1-3H3,(H2,17,18,19,25)