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

Systemtic Name: 6-bromanyl-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-p-phenetyl-cinchoninamide Formula: C32H26BrN3O2S MolecularWeight: 596.53674

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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=C3C=C(C=C4)Br)C5=CC=C(C=C5)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)OCC)C

InChI

InChI=1S/C32H26BrN3O2S/c1-4-20-6-8-22(9-7-20)30-19(3)39-32(27(30)18-34)36-31(37)26-17-29(21-10-13-24(14-11-21)38-5-2)35-28-15-12-23(33)16-25(26)28/h6-17H,4-5H2,1-3H3,(H,36,37)