N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-isopropylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-(p-cumenylthio)cinchoninamide Formula: C27H25ClN2OS MolecularWeight: 461.0182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN2OS/c1-18(2)20-9-13-22(14-10-20)32-26-17-24(23-5-3-4-6-25(23)30-26)27(31)29-16-15-19-7-11-21(28)12-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,29,31)