3-(2,2-diphenylethanoylcarbamothioylamino)-4-methoxy-benzoic acid

Systemtic Name: 3-(2,2-diphenylethanoylcarbamothioylamino)-4-methoxy-benzoic acid Openeye Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(2,2-diphenylacetyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-29-19-13-12-17(22(27)28)14-18(19)24-23(30)25-21(26)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,27,28)(H2,24,25,26,30)