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

Systemtic Name: 2-(4-fluorophenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]cinchoninamide Formula: C27H21FN4O2S MolecularWeight: 484.544643

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H21FN4O2S/c1-15(2)25(33)32-27-31-23-13-18(11-12-24(23)35-27)29-26(34)20-14-22(16-7-9-17(28)10-8-16)30-21-6-4-3-5-19(20)21/h3-15H,1-2H3,(H,29,34)(H,31,32,33)