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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)N(C2=CC(=CC=C2)F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)N(C2=CC(=CC=C2)F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

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