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

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)sulfanyl-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[(2-chlorophenyl)thio]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[(2-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=C3Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3Cl

InChI

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