N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C26H22FN3O5S MolecularWeight: 507.533383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

InChI

InChI=1S/C26H22FN3O5S/c1-32-16-6-4-5-15(11-16)25(31)30-26(36)29-20-8-7-17(12-19(20)27)35-22-9-10-28-21-14-24(34-3)23(33-2)13-18(21)22/h4-14H,1-3H3,(H2,29,30,31,36)