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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=S)NC(=O)C2=CC=CC=C2F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N(C(=S)NC(=O)C2=CC=CC=C2F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

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