3-(methylsulfanylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 3-[(methylthio)methyl]-2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 3-[(methylthio)methyl]-2-phenyl-N-(1-phenylethyl)cinchoninamide Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

InChI

InChI=1S/C26H24N2OS/c1-18(19-11-5-3-6-12-19)27-26(29)24-21-15-9-10-16-23(21)28-25(22(24)17-30-2)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,27,29)