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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-bromophenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-bromophenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-bromophenyl)thiazol-2-yl]cinchoninamide Formula: C26H16BrN3O3S MolecularWeight: 530.39254

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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)Br

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)Br

InChI

InChI=1S/C26H16BrN3O3S/c27-17-8-5-15(6-9-17)22-13-34-26(29-22)30-25(31)19-12-21(28-20-4-2-1-3-18(19)20)16-7-10-23-24(11-16)33-14-32-23/h1-13H,14H2,(H,29,30,31)