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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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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)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC(=CC=C3)F)C(=S)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O4S/c1-33-24-16-21-22(17-25(24)34-2)29-14-13-23(21)35-31(20-10-6-9-19(28)15-20)27(36)30-26(32)12-11-18-7-4-3-5-8-18/h3-10,13-17H,11-12H2,1-2H3,(H,30,32,36)