N-(2,3-dimethylcyclohexyl)-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(4-isopropylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(p-cumenylthio)cinchoninamide Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H32N2OS/c1-17(2)20-12-14-21(15-13-20)31-26-16-23(22-9-5-6-10-25(22)28-26)27(30)29-24-11-7-8-18(3)19(24)4/h5-6,9-10,12-19,24H,7-8,11H2,1-4H3,(H,29,30)