dimethyl 5-(2,2-diphenylethanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2,2-diphenylethanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2,2-diphenylacetyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2,2-diphenylacetyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,2-diphenylacetyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-31-23(29)18-13-19(24(30)32-2)15-20(14-18)26-25(33)27-22(28)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,26,27,28,33)