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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-3-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-3-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C30H26ClN3OS MolecularWeight: 512.06494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26ClN3OS/c1-4-18(2)20-9-11-21(12-10-20)26-17-36-30(33-26)34-29(35)27-19(3)28(22-13-15-23(31)16-14-22)32-25-8-6-5-7-24(25)27/h5-18H,4H2,1-3H3,(H,33,34,35)