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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(2,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C31H29N3OS MolecularWeight: 491.64646

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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)C)C

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)C)C

InChI

InChI=1S/C31H29N3OS/c1-5-20(3)22-11-13-23(14-12-22)29-18-36-31(33-29)34-30(35)26-17-28(24-15-10-19(2)16-21(24)4)32-27-9-7-6-8-25(26)27/h6-18,20H,5H2,1-4H3,(H,33,34,35)