N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(2-thienyl)cinchoninamide Formula: C23H16ClF3N2OS MolecularWeight: 460.89915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

InChI

InChI=1S/C23H16ClF3N2OS/c1-12-8-13(2)21-15(9-12)16(11-19(28-21)20-4-3-7-31-20)22(30)29-18-10-14(23(25,26)27)5-6-17(18)24/h3-11H,1-2H3,(H,29,30)