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

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-2-(3-propoxyphenyl)cinchoninamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C(C)(C)C

InChI

InChI=1S/C26H27N3O2S/c1-5-13-31-18-10-8-9-17(14-18)22-15-20(19-11-6-7-12-21(19)27-22)24(30)29-25-28-23(16-32-25)26(2,3)4/h6-12,14-16H,5,13H2,1-4H3,(H,28,29,30)