N-tert-butyl-1-[2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)-5-quinolin-2-yl-pentyl]-4-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)-5-quinolin-2-yl-pentyl]-4-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: 1-[3-benzyl-2-hydroxy-5-oxo-5-(2-quinolyl)pentyl]-N-tert-butyl-4-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-5-oxo-3-(phenylmethyl)-5-(2-quinolinyl)pentyl]-4-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-2-hydroxy-5-oxo-5-quinolin-2-ylpentyl)-N-tert-butyl-4-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: 1-[3-benzyl-2-hydroxy-5-keto-5-(2-quinolyl)pentyl]-N-tert-butyl-4-(4-pyridylthio)pipecolinamide Formula: C36H42N4O3S MolecularWeight: 610.80868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)CC(=O)C3=NC4=CC=CC=C4C=C3)O)SC5=CC=NC=C5

Isomeric SMILES

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)CC(=O)C3=NC4=CC=CC=C4C=C3)O)SC5=CC=NC=C5

InChI

InChI=1S/C36H42N4O3S/c1-36(2,3)39-35(43)32-23-29(44-28-15-18-37-19-16-28)17-20-40(32)24-34(42)27(21-25-9-5-4-6-10-25)22-33(41)31-14-13-26-11-7-8-12-30(26)38-31/h4-16,18-19,27,29,32,34,42H,17,20-24H2,1-3H3,(H,39,43)