2-(4-fluorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-isoamyl-cinchoninamide Formula: C21H21FN2OS MolecularWeight: 368.467643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2OS/c1-14(2)11-12-23-21(25)18-13-20(24-19-6-4-3-5-17(18)19)26-16-9-7-15(22)8-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)