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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6,8-dimethyl-2-quinolyl)thio]acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N)C

InChI

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