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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-methylanilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H22FN3O4S/c1-15-11-18(34-22-9-10-28-21-14-24(33-3)23(32-2)13-19(21)22)7-8-20(15)29-26(35)30-25(31)16-5-4-6-17(27)12-16/h4-14H,1-3H3,(H2,29,30,31,35)