N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoyl]nicotinamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O2S/c29-21(16-9-6-12-24-14-16)26-23(31)28-27-22(30)18-13-20(15-7-2-1-3-8-15)25-19-11-5-4-10-17(18)19/h1-14H,(H,27,30)(H2,26,28,29,31)