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

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylanilino)-N-(3-morpholinopropyl)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methylsulfanylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-(3-morpholinopropyl)cinchoninamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C24H28N4O2S/c1-31-19-7-4-6-18(16-19)26-23-17-21(20-8-2-3-9-22(20)27-23)24(29)25-10-5-11-28-12-14-30-15-13-28/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,29)(H,26,27)