methyl 4-(2,2-diphenylethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2,2-diphenylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,2-diphenylacetyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-28-22(27)18-12-14-19(15-13-18)24-23(29)25-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3,(H2,24,25,26,29)