N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-cyano-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]-N-piperonyl-acetamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C24H25N3O4S/c1-4-15-16(10-25)23(27-17-8-24(2,3)9-18(28)22(15)17)32-12-21(29)26-11-14-5-6-19-20(7-14)31-13-30-19/h5-7H,4,8-9,11-13H2,1-3H3,(H,26,29)