2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=CC(=CC(=C3)OC)OC)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=CC(=CC(=C3)OC)OC)C#N

InChI

InChI=1S/C22H21N3O3S/c1-13-5-6-14(2)21-19(13)7-15(11-23)22(25-21)29-12-20(26)24-16-8-17(27-3)10-18(9-16)28-4/h5-10H,12H2,1-4H3,(H,24,26)