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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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