2-[(6,7-dimethoxyquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(6,7-dimethoxyquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(6,7-dimethoxy-4-quinolyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(6,7-dimethoxy-4-quinolinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(6,7-dimethoxyquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(6,7-dimethoxy-4-quinolyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

InChI

InChI=1S/C26H25N3O3S/c1-16-10-17(2)12-19(11-16)29-25(30)20-6-5-8-28-26(20)33-15-18-7-9-27-22-14-24(32-4)23(31-3)13-21(18)22/h5-14H,15H2,1-4H3,(H,29,30)