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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C31H24FN3O4S MolecularWeight: 553.603363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC(=CC=C3)F)C(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC(=CC=C3)F)C(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24FN3O4S/c1-37-28-18-25-26(19-29(28)38-2)33-16-15-27(25)39-35(24-10-6-9-23(32)17-24)31(40)34-30(36)22-13-11-21(12-14-22)20-7-4-3-5-8-20/h3-19H,1-2H3,(H,34,36,40)