2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-nitrophenyl)thiazol-2-yl]cinchoninamide Formula: C26H16N4O5S MolecularWeight: 496.49404

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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=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H16N4O5S/c31-25(29-26-28-22(13-36-26)15-5-8-17(9-6-15)30(32)33)19-12-21(27-20-4-2-1-3-18(19)20)16-7-10-23-24(11-16)35-14-34-23/h1-13H,14H2,(H,28,29,31)