diethyl 2-[(diphenylmethyl)carbamothioylamino]propanedioate

Systemtic Name: diethyl 2-[(diphenylmethyl)carbamothioylamino]propanedioate Openeye Name: diethyl 2-(benzhydrylcarbamothioylamino)propanedioate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzhydrylcarbamothioylamino)propanedioate Traditional Name: 2-(benzhydrylthiocarbamoylamino)malonic acid diethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-3-26-19(24)18(20(25)27-4-2)23-21(28)22-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3,(H2,22,23,28)