N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-30-22-14-19-20(15-23(22)31-2)26-13-12-21(19)32-18-10-8-17(9-11-18)27-25(33)28-24(29)16-6-4-3-5-7-16/h8-16H,3-7H2,1-2H3,(H2,27,28,29,33)