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

Systemtic Name: N-[3-cyano-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-isopropylphenyl)-2-thienyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-propan-2-ylphenyl)-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-p-cumenyl-2-thienyl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C32H27N3OS MolecularWeight: 501.64128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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)C

Isomeric SMILES

CC1=C(C=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)C

InChI

InChI=1S/C32H27N3OS/c1-19(2)22-11-13-23(14-12-22)28-18-37-32(27(28)17-33)35-31(36)26-16-30(24-10-9-20(3)21(4)15-24)34-29-8-6-5-7-25(26)29/h5-16,18-19H,1-4H3,(H,35,36)