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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(2,4-dimethoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(2,4-dimethoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(2,4-dimethoxyanilino)cinchoninamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-32-19-13-14-24(25(17-19)33-2)30-26-18-22(21-11-6-7-12-23(21)29-26)27(31)28-15-8-16-34-20-9-4-3-5-10-20/h6-7,11-14,17-18,20H,3-5,8-10,15-16H2,1-2H3,(H,28,31)(H,29,30)