2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]cinchoninamide Formula: C31H21N3O3S MolecularWeight: 515.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C31H21N3O3S/c1-18-6-12-25-29(14-18)38-31(34-25)19-7-10-21(11-8-19)32-30(35)23-16-26(33-24-5-3-2-4-22(23)24)20-9-13-27-28(15-20)37-17-36-27/h2-16H,17H2,1H3,(H,32,35)