2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC)OC

InChI

InChI=1S/C22H21N3O5S/c1-27-17-6-5-15(9-19(17)29-3)24-21(26)12-31-22-14(11-23)7-13-8-18(28-2)20(30-4)10-16(13)25-22/h5-10H,12H2,1-4H3,(H,24,26)