2-chloranyl-4-nitro-6-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-chloranyl-4-nitro-6-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-chloro-4-nitro-6-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]phenolate CAS Name: 2-chloro-4-nitro-6-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-chloro-4-nitro-6-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]phenolate Traditional Name: 2-chloro-4-nitro-6-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]phenolate Formula: C23H14ClN4O4S- MolecularWeight: 477.89966

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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[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC(=CC(=C4[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN4O4S/c24-17-10-14(28(31)32)11-20(21(17)29)26-23(33)27-22(30)16-12-19(13-6-2-1-3-7-13)25-18-9-5-4-8-15(16)18/h1-12,29H,(H2,26,27,30,33)/p-1