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

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-heptyl-quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-heptyl-quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-heptyl-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-heptylquinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-heptyl-cinchoninamide Formula: C23H25ClN2OS MolecularWeight: 412.9754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2OS/c1-2-3-4-5-8-14-25-23(27)20-16-22(26-21-13-7-6-12-19(20)21)28-18-11-9-10-17(24)15-18/h6-7,9-13,15-16H,2-5,8,14H2,1H3,(H,25,27)