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

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

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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)OCO4)C#N

Isomeric SMILES

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

InChI

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