N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thienyl]-2-(4-isobutylphenyl)cinchoninamide Formula: C35H33N3OS MolecularWeight: 543.72102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C

InChI

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