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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: 3-[(3-cyano-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]-N-piperonyl-propionamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-4-16-17(12-26)24(28-18-10-25(2,3)11-19(29)23(16)18)33-8-7-22(30)27-13-15-5-6-20-21(9-15)32-14-31-20/h5-6,9H,4,7-8,10-11,13-14H2,1-3H3,(H,27,30)