diethyl 2-[[(2,5-dimethylphenyl)carbamothioylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2,5-dimethylphenyl)carbamothioylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[(2,5-dimethylphenyl)carbamothioylamino]methylene]propanedioate CAS Name: 2-[[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2,5-dimethylphenyl)carbamothioylamino]methylidene]propanedioate Traditional Name: 2-[[(2,5-dimethylphenyl)thiocarbamoylamino]methylene]malonic acid diethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=C(C=CC(=C1)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC(=S)NC1=C(C=CC(=C1)C)C)C(=O)OCC

InChI

InChI=1S/C17H22N2O4S/c1-5-22-15(20)13(16(21)23-6-2)10-18-17(24)19-14-9-11(3)7-8-12(14)4/h7-10H,5-6H2,1-4H3,(H2,18,19,24)