N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-m-phenetyl-cinchoninamide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC

InChI

InChI=1S/C33H29N3O2S/c1-3-5-9-22-14-16-23(17-15-22)29-21-39-33(28(29)20-34)36-32(37)27-19-31(35-30-13-7-6-12-26(27)30)24-10-8-11-25(18-24)38-4-2/h6-8,10-19,21H,3-5,9H2,1-2H3,(H,36,37)