N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-[cyclohexyl(methyl)amino]propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-[cyclohexyl(methyl)amino]propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C26H30FN3OS MolecularWeight: 451.599303

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)C4CCCCC4

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C26H30FN3OS/c1-30(20-8-3-2-4-9-20)17-7-16-28-26(31)23-18-25(29-24-11-6-5-10-22(23)24)32-21-14-12-19(27)13-15-21/h5-6,10-15,18,20H,2-4,7-9,16-17H2,1H3,(H,28,31)