N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]pyrrolidine-1-carboxamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]pyrrolidine-1-carboxamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]pyrrolidine-1-carboxamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]pyrrolidine-1-carboxamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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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)N4CCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)N4CCCC4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-30-20-12-15-17(13-21(20)31-2)25-8-7-18(15)32-19-6-5-14(11-16(19)24)26-22(33)27-23(29)28-9-3-4-10-28/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,26,27,29,33)