2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC(=CC(=C3)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC(=CC(=C3)OC)OC)C#N

InChI

InChI=1S/C21H19N3O3S/c1-13-4-5-14-7-15(11-22)21(24-19(14)6-13)28-12-20(25)23-16-8-17(26-2)10-18(9-16)27-3/h4-10H,12H2,1-3H3,(H,23,25)