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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(p-tolyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-methylphenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(p-tolyl)thiazol-2-yl]cinchoninamide Formula: C27H19N3O3S MolecularWeight: 465.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H19N3O3S/c1-16-6-8-17(9-7-16)23-14-34-27(29-23)30-26(31)20-13-22(28-21-5-3-2-4-19(20)21)18-10-11-24-25(12-18)33-15-32-24/h2-14H,15H2,1H3,(H,29,30,31)