3-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]benzoic acid Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H17N3O3S/c28-22(27-24(31)25-17-10-6-9-16(13-17)23(29)30)19-14-21(15-7-2-1-3-8-15)26-20-12-5-4-11-18(19)20/h1-14H,(H,29,30)(H2,25,27,28,31)