diethyl 2-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylene]propanedioate CAS Name: 2-[[[(2-tert-butyl-6-ethylanilino)-sulfanylidenemethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2-tert-butyl-6-ethylphenyl)carbamothioylamino]methylidene]propanedioate Traditional Name: 2-[[(2-tert-butyl-6-ethyl-phenyl)thiocarbamoylamino]methylene]malonic acid diethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-7-14-11-10-12-16(21(4,5)6)17(14)23-20(28)22-13-15(18(24)26-8-2)19(25)27-9-3/h10-13H,7-9H2,1-6H3,(H2,22,23,28)