3-(2,2-diphenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2,2-diphenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2,2-diphenylacetyl)thiocarbamoylamino]benzoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18N2O3S/c25-20(24-22(28)23-18-13-7-12-17(14-18)21(26)27)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,26,27)(H2,23,24,25,28)