N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]pyridine-4-carboxamide

Systemtic Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]pyridine-4-carboxamide Openeye Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]pyridine-4-carboxamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-4-pyridinecarboxamide IUPAC Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenylcarbamothioyl]pyridine-4-carboxamide Traditional Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-thiocarbamoyl]isonicotinamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NC(=O)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NC(=O)C4=CC=NC=C4)OC

InChI

InChI=1S/C23H19N5O4S/c1-30-19-12-17-18(13-20(19)31-2)25-14-26-22(17)32-28(16-6-4-3-5-7-16)23(33)27-21(29)15-8-10-24-11-9-15/h3-14H,1-2H3,(H,27,29,33)