ethyl 4-[[2-(4-methylphenyl)sulfanylquinolin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-methylphenyl)sulfanylquinolin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(p-tolylsulfanyl)quinoline-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(4-methylphenyl)thio]-4-quinolinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylphenyl)sulfanylquinoline-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(p-tolylthio)quinoline-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N3O3S/c1-3-31-25(30)28-14-12-18(13-15-28)26-24(29)21-16-23(27-22-7-5-4-6-20(21)22)32-19-10-8-17(2)9-11-19/h4-11,16,18H,3,12-15H2,1-2H3,(H,26,29)