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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-propyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-4-propyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-4-propylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-propylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)thiocarbamoyl]-4-propyl-benzamide Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC(=CC=C2)F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC(=CC=C2)F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C28H26FN3O4S/c1-4-6-18-9-11-19(12-10-18)27(33)31-28(37)32(21-8-5-7-20(29)15-21)36-24-13-14-30-23-17-26(35-3)25(34-2)16-22(23)24/h5,7-17H,4,6H2,1-3H3,(H,31,33,37)