N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-methyl-hexanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-methyl-hexanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-methyl-hexanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylhexanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylhexanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-methyl-hexanamide Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)Cl

Isomeric SMILES

CCCCC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)Cl

InChI

InChI=1S/C25H28ClN3O4S/c1-5-6-7-15(2)24(30)29-25(34)28-16-8-9-21(18(26)12-16)33-20-10-11-27-19-14-23(32-4)22(31-3)13-17(19)20/h8-15H,5-7H2,1-4H3,(H2,28,29,30,34)