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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C31H29N3O3S MolecularWeight: 523.64526

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C31H29N3O3S/c1-5-19(2)20-10-12-21(13-11-20)27-18-38-31(33-27)34-30(35)24-17-26(32-25-9-7-6-8-23(24)25)22-14-15-28(36-3)29(16-22)37-4/h6-19H,5H2,1-4H3,(H,33,34,35)