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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-m-phenetyl-cinchoninamide Formula: C34H31N3O2S MolecularWeight: 545.69384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=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

CCC(C)C1=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/C34H31N3O2S/c1-5-21(3)23-14-16-24(17-15-23)32-22(4)40-34(29(32)20-35)37-33(38)28-19-31(36-30-13-8-7-12-27(28)30)25-10-9-11-26(18-25)39-6-2/h7-19,21H,5-6H2,1-4H3,(H,37,38)