2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C#N)C

InChI

InChI=1S/C22H19N3O3S/c1-13-7-14(2)17-9-15(11-23)22(25-18(17)8-13)29-12-21(26)24-16-3-4-19-20(10-16)28-6-5-27-19/h3-4,7-10H,5-6,12H2,1-2H3,(H,24,26)