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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2-methyl-pentanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-2-methyl-pentanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylpentanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-2-methylpentanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-2-methyl-valeramide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC(=S)N(C1=CC=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

Isomeric SMILES

CCCC(C)C(=O)NC(=S)N(C1=CC=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

InChI

InChI=1S/C24H27N3O4S/c1-5-9-16(2)23(28)26-24(32)27(17-10-7-6-8-11-17)31-20-12-13-25-19-15-22(30-4)21(29-3)14-18(19)20/h6-8,10-16H,5,9H2,1-4H3,(H,26,28,32)