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

Systemtic Name: N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2-(4-isobutylphenyl)cinchoninamide Formula: C32H27N3OS MolecularWeight: 501.64128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=CC=C5

InChI

InChI=1S/C32H27N3OS/c1-20(2)17-22-13-15-23(16-14-22)29-18-26(25-11-7-8-12-28(25)34-29)31(36)35-32-27(19-33)30(21(3)37-32)24-9-5-4-6-10-24/h4-16,18,20H,17H2,1-3H3,(H,35,36)