diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylene]propanedioate CAS Name: 2-[[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]propanedioate Traditional Name: 2-[[(2,6-diethylphenyl)thiocarbamoylamino]methylene]malonic acid diethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H26N2O4S/c1-5-13-10-9-11-14(6-2)16(13)21-19(26)20-12-15(17(22)24-7-3)18(23)25-8-4/h9-12H,5-8H2,1-4H3,(H2,20,21,26)