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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(4-propan-2-ylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-isopropylanilino)quinoline-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(4-propan-2-ylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-propan-2-ylanilino)quinoline-4-carboxamide Traditional Name: 2-cumidino-N-[3-(cyclohexylthio)propyl]cinchoninamide Formula: C28H35N3OS MolecularWeight: 461.662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3OS/c1-20(2)21-13-15-22(16-14-21)30-27-19-25(24-11-6-7-12-26(24)31-27)28(32)29-17-8-18-33-23-9-4-3-5-10-23/h6-7,11-16,19-20,23H,3-5,8-10,17-18H2,1-2H3,(H,29,32)(H,30,31)