N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2-phenoxy-butanamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2-phenoxy-butanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-2-phenoxy-butanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenoxybutanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-2-phenoxybutanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-2-phenoxy-butyramide Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(=S)N(C1=CC=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC(=S)N(C1=CC=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5S/c1-4-23(35-20-13-9-6-10-14-20)27(32)30-28(37)31(19-11-7-5-8-12-19)36-24-15-16-29-22-18-26(34-3)25(33-2)17-21(22)24/h5-18,23H,4H2,1-3H3,(H,30,32,37)