N-(2-methylcyclohexyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(2-methylcyclohexyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-(2-methylcyclohexyl)-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-(2-methylcyclohexyl)-2-[3-(methylthio)anilino]cinchoninamide Formula: C24H27N3OS MolecularWeight: 405.55568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C24H27N3OS/c1-16-8-3-5-12-21(16)27-24(28)20-15-23(26-22-13-6-4-11-19(20)22)25-17-9-7-10-18(14-17)29-2/h4,6-7,9-11,13-16,21H,3,5,8,12H2,1-2H3,(H,25,26)(H,27,28)