N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-m-phenetyl-cinchoninamide Formula: C32H27N3O2S MolecularWeight: 517.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC)C

InChI

InChI=1S/C32H27N3O2S/c1-4-21-13-15-22(16-14-21)30-20(3)38-32(27(30)19-33)35-31(36)26-18-29(34-28-12-7-6-11-25(26)28)23-9-8-10-24(17-23)37-5-2/h6-18H,4-5H2,1-3H3,(H,35,36)