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

Systemtic Name: 4-butyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]benzamide Openeye Name: 4-butyl-N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]carbamothioyl]benzamide CAS Name: 4-butyl-N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]benzamide Traditional Name: 4-butyl-N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]thiocarbamoyl]benzamide Formula: C29H28FN3O4S MolecularWeight: 533.613723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

InChI

InChI=1S/C29H28FN3O4S/c1-4-5-6-18-7-9-19(10-8-18)28(34)33-29(38)32-23-12-11-20(15-22(23)30)37-25-13-14-31-24-17-27(36-3)26(35-2)16-21(24)25/h7-17H,4-6H2,1-3H3,(H2,32,33,34,38)