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

Systemtic Name: 8-methyl-2-phenyl-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Openeye Name: 8-methyl-2-phenyl-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide CAS Name: 8-methyl-N-[2-(1-oxopropylamino)-1,3-benzothiazol-5-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 8-methyl-2-phenyl-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Traditional Name: 8-methyl-2-phenyl-N-(2-propionamido-1,3-benzothiazol-5-yl)cinchoninamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-3-24(32)31-27-30-22-14-18(12-13-23(22)34-27)28-26(33)20-15-21(17-9-5-4-6-10-17)29-25-16(2)8-7-11-19(20)25/h4-15H,3H2,1-2H3,(H,28,33)(H,30,31,32)