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

Systemtic Name: 2-(4-methoxyphenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[2-(1-oxopropylamino)-1,3-benzothiazol-5-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-(2-propionamido-1,3-benzothiazol-5-yl)cinchoninamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C27H22N4O3S/c1-3-25(32)31-27-30-23-14-17(10-13-24(23)35-27)28-26(33)20-15-22(16-8-11-18(34-2)12-9-16)29-21-7-5-4-6-19(20)21/h4-15H,3H2,1-2H3,(H,28,33)(H,30,31,32)