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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(3,4-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethylanilino)quinoline-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(3,4-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(3,4-dimethylanilino)cinchoninamide Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4)C

InChI

InChI=1S/C27H33N3OS/c1-19-13-14-21(17-20(19)2)29-26-18-24(23-11-6-7-12-25(23)30-26)27(31)28-15-8-16-32-22-9-4-3-5-10-22/h6-7,11-14,17-18,22H,3-5,8-10,15-16H2,1-2H3,(H,28,31)(H,29,30)