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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2-methyl-hexanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-2-methyl-hexanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylhexanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-2-methylhexanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-2-methyl-hexanamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-5-6-10-17(2)24(29)27-25(33)28(18-11-8-7-9-12-18)32-21-13-14-26-20-16-23(31-4)22(30-3)15-19(20)21/h7-9,11-17H,5-6,10H2,1-4H3,(H,27,29,33)