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

Systemtic Name: 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C22H21N3O3S/c1-27-19-11-16-10-17(13-23)22(25-18(16)12-20(19)28-2)29-14-21(26)24-9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,14H2,1-2H3,(H,24,26)