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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dimethylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dimethylphenyl)thiazol-2-yl]cinchoninamide Formula: C28H21N3O3S MolecularWeight: 479.54964

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3O3S/c1-16-7-9-19(17(2)11-16)24-14-35-28(30-24)31-27(32)21-13-23(29-22-6-4-3-5-20(21)22)18-8-10-25-26(12-18)34-15-33-25/h3-14H,15H2,1-2H3,(H,30,31,32)