N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C35H33N3O2S MolecularWeight: 559.72042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C)C

InChI

InChI=1S/C35H33N3O2S/c1-5-9-24-14-16-25(17-15-24)33-23(4)41-35(30(33)20-36)38-34(39)29-19-32(37-31-13-7-6-12-28(29)31)26-10-8-11-27(18-26)40-21-22(2)3/h6-8,10-19,22H,5,9,21H2,1-4H3,(H,38,39)