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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-6,8-dimethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C

InChI

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