N-[3-cyano-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-isopropylphenyl)-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-propan-2-ylphenyl)-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-p-cumenyl-2-thienyl)-2-(4-isobutylphenyl)cinchoninamide Formula: C34H31N3OS MolecularWeight: 529.69444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)C(C)C)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)C(C)C)C#N

InChI

InChI=1S/C34H31N3OS/c1-21(2)17-23-9-11-26(12-10-23)32-18-28(27-7-5-6-8-31(27)36-32)33(38)37-34-29(19-35)30(20-39-34)25-15-13-24(14-16-25)22(3)4/h5-16,18,20-22H,17H2,1-4H3,(H,37,38)