4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid Formula: C24H16ClN3O3S MolecularWeight: 461.92014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H16ClN3O3S/c25-16-9-5-14(6-10-16)21-13-19(18-3-1-2-4-20(18)27-21)22(29)28-24(32)26-17-11-7-15(8-12-17)23(30)31/h1-13H,(H,30,31)(H2,26,28,29,32)