N-(1,3-benzodioxol-5-yl)-2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N)C

InChI

InChI=1S/C21H17N3O3S/c1-12-5-13(2)16-7-14(9-22)21(24-17(16)6-12)28-10-20(25)23-15-3-4-18-19(8-15)27-11-26-18/h3-8H,10-11H2,1-2H3,(H,23,25)