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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[3-(methylthio)anilino]cinchoninamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H29N3OS/c1-16-8-6-13-22(17(16)2)28-25(29)21-15-24(27-23-12-5-4-11-20(21)23)26-18-9-7-10-19(14-18)30-3/h4-5,7,9-12,14-17,22H,6,8,13H2,1-3H3,(H,26,27)(H,28,29)