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

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-2-phenyl-cinchoninamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-16(2)25(32)31-27-30-23-14-18(12-13-24(23)34-27)28-26(33)20-15-22(17-8-4-3-5-9-17)29-21-11-7-6-10-19(20)21/h3-16H,1-2H3,(H,28,33)(H,30,31,32)