2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-5,8-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=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

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

InChI

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