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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4CCCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4CCCCC4)Cl

InChI

InChI=1S/C25H26ClN3O4S/c1-31-22-13-17-19(14-23(22)32-2)27-11-10-20(17)33-21-9-8-16(12-18(21)26)28-25(34)29-24(30)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H2,28,29,30,34)