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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C29H24ClN3OS MolecularWeight: 498.03836

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClN3OS/c1-3-18(2)19-8-10-21(11-9-19)27-17-35-29(32-27)33-28(34)24-16-26(20-12-14-22(30)15-13-20)31-25-7-5-4-6-23(24)25/h4-18H,3H2,1-2H3,(H,32,33,34)