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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

InChI

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