N-(3-cyclohexylsulfanylpropyl)-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(2-methoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(o-anisidino)cinchoninamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-31-24-15-8-7-14-23(24)29-25-18-21(20-12-5-6-13-22(20)28-25)26(30)27-16-9-17-32-19-10-3-2-4-11-19/h5-8,12-15,18-19H,2-4,9-11,16-17H2,1H3,(H,27,30)(H,28,29)