2-(4-methylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide Openeye Name: N-phenethyl-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-phenethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-phenethylquinoline-4-carboxamide Traditional Name: N-phenethyl-2-(p-tolylthio)cinchoninamide Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS/c1-18-11-13-20(14-12-18)29-24-17-22(21-9-5-6-10-23(21)27-24)25(28)26-16-15-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,26,28)