2-(1,3-benzodioxol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-phenylthiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-phenyl-2-thiazolyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-phenylthiazol-2-yl)cinchoninamide Formula: C26H17N3O3S MolecularWeight: 451.49648

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC(=CS5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC(=CS5)C6=CC=CC=C6

InChI

InChI=1S/C26H17N3O3S/c30-25(29-26-28-22(14-33-26)16-6-2-1-3-7-16)19-13-21(27-20-9-5-4-8-18(19)20)17-10-11-23-24(12-17)32-15-31-23/h1-14H,15H2,(H,28,29,30)