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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-methyl-pentanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-methyl-pentanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylpentanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylpentanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-methyl-valeramide Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4S/c1-5-6-14(2)23(29)28-24(33)27-15-7-8-20(17(25)11-15)32-19-9-10-26-18-13-22(31-4)21(30-3)12-16(18)19/h7-14H,5-6H2,1-4H3,(H2,27,28,29,33)