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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C24H25FN2OS MolecularWeight: 408.531503

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2OS/c1-15-6-5-9-21(16(15)2)27-24(28)20-14-23(26-22-8-4-3-7-19(20)22)29-18-12-10-17(25)11-13-18/h3-4,7-8,10-16,21H,5-6,9H2,1-2H3,(H,27,28)