2-[(3-methylsulfanylphenyl)amino]-N-(1-phenylethyl)quinoline-4-carboxamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-methylsulfanylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-(1-phenylethyl)cinchoninamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H23N3OS/c1-17(18-9-4-3-5-10-18)26-25(29)22-16-24(28-23-14-7-6-13-21(22)23)27-19-11-8-12-20(15-19)30-2/h3-17H,1-2H3,(H,26,29)(H,27,28)