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

Systemtic Name: 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

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