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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxy-butanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-phenoxy-butanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenoxybutanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxybutanamide Traditional Name: N-[[4-[(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)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC(=S)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

InChI

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