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

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-isoamyl-cinchoninamide Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c1-14(2)10-11-23-21(25)18-13-20(24-19-9-4-3-8-17(18)19)26-16-7-5-6-15(22)12-16/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)