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

Systemtic Name: 2-(4-methoxyphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-2-(4-methoxyphenyl)cinchoninamide Formula: C28H24N4O3S MolecularWeight: 496.58016

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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)OC

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)OC

InChI

InChI=1S/C28H24N4O3S/c1-16(2)26(33)32-28-31-24-14-18(10-13-25(24)36-28)29-27(34)21-15-23(17-8-11-19(35-3)12-9-17)30-22-7-5-4-6-20(21)22/h4-16H,1-3H3,(H,29,34)(H,31,32,33)