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

Systemtic Name: 4-chloranyl-3-(2,2-diphenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-chloro-3-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(2,2-diphenylacetyl)thiocarbamoylamino]benzoic acid Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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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=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O3S/c23-17-12-11-16(21(27)28)13-18(17)24-22(29)25-20(26)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,27,28)(H2,24,25,26,29)