2-[(3-methylsulfanylphenyl)amino]-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylanilino)-N-(2-morpholinoethyl)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methylsulfanylanilino)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-(2-morpholinoethyl)cinchoninamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-30-18-6-4-5-17(15-18)25-22-16-20(19-7-2-3-8-21(19)26-22)23(28)24-9-10-27-11-13-29-14-12-27/h2-8,15-16H,9-14H2,1H3,(H,24,28)(H,25,26)