1-[4-[(2-ethanoylphenyl)methylamino]phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(2-ethanoylphenyl)methylamino]phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(2-acetylphenyl)methylamino]phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-[(2-acetylphenyl)methylamino]phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-[(2-acetylphenyl)methylamino]phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[4-[(2-acetylbenzyl)amino]phenyl]-2-(4-quinolylthio)ethanone Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1CNC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=CC=C1CNC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C26H22N2O2S/c1-18(29)22-7-3-2-6-20(22)16-28-21-12-10-19(11-13-21)25(30)17-31-26-14-15-27-24-9-5-4-8-23(24)26/h2-15,28H,16-17H2,1H3