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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydroquinolin-2-yl)thio]-N-piperonyl-acetamide Formula: C28H25N3O4S MolecularWeight: 499.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C5=CC=CC=C5)C

InChI

InChI=1S/C28H25N3O4S/c1-28(2)11-20-26(21(32)12-28)25(18-6-4-3-5-7-18)19(13-29)27(31-20)36-15-24(33)30-14-17-8-9-22-23(10-17)35-16-34-22/h3-10H,11-12,14-16H2,1-2H3,(H,30,33)