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

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(4-isobutylphenyl)cinchoninamide Formula: C35H33N3OS MolecularWeight: 543.72102

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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=C(C=C5)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C35H33N3OS/c1-4-5-8-24-11-15-26(16-12-24)31-22-40-35(30(31)21-36)38-34(39)29-20-33(37-32-10-7-6-9-28(29)32)27-17-13-25(14-18-27)19-23(2)3/h6-7,9-18,20,22-23H,4-5,8,19H2,1-3H3,(H,38,39)