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

Systemtic Name: N-butyl-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[(3-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-butyl-2-[(3-chlorophenyl)thio]cinchoninamide Formula: C20H19ClN2OS MolecularWeight: 370.89566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2OS/c1-2-3-11-22-20(24)17-13-19(23-18-10-5-4-9-16(17)18)25-15-8-6-7-14(21)12-15/h4-10,12-13H,2-3,11H2,1H3,(H,22,24)