2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

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