N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-2-methoxy-4-(methylthio)benzamide Formula: C24H28N2O2S MolecularWeight: 408.55632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=C(C=C(C=C2)SC)OC)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=C(C=C(C=C2)SC)OC)/C#N)C

InChI

InChI=1S/C24H28N2O2S/c1-15-10-16(2)12-17(11-15)20(14-25)22(24(3,4)5)26-23(27)19-9-8-18(29-7)13-21(19)28-6/h8-13H,1-7H3,(H,26,27)/b22-20-