N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C29H25N3OS MolecularWeight: 463.5933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3OS/c1-3-19(2)20-13-15-22(16-14-20)27-18-34-29(31-27)32-28(33)24-17-26(21-9-5-4-6-10-21)30-25-12-8-7-11-23(24)25/h4-19H,3H2,1-2H3,(H,31,32,33)