N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H25N3O3S/c1-25(2,3)22-14-32-24(27-22)28-23(29)17-13-19(26-18-9-7-6-8-16(17)18)15-10-11-20(30-4)21(12-15)31-5/h6-14H,1-5H3,(H,27,28,29)