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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dichlorophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(2,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dichlorophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C29H23Cl2N3OS MolecularWeight: 532.48342

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H23Cl2N3OS/c1-3-17(2)18-8-10-19(11-9-18)27-16-36-29(33-27)34-28(35)23-15-26(22-13-12-20(30)14-24(22)31)32-25-7-5-4-6-21(23)25/h4-17H,3H2,1-2H3,(H,33,34,35)