N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C34H31N3OS MolecularWeight: 529.69444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C)C

InChI

InChI=1S/C34H31N3OS/c1-6-20(2)24-13-15-25(16-14-24)32-23(5)39-34(29(32)19-35)37-33(38)28-18-31(26-12-11-21(3)22(4)17-26)36-30-10-8-7-9-27(28)30/h7-18,20H,6H2,1-5H3,(H,37,38)