N-tert-butyl-N-[1-oxidanylidene-1-[(1-oxidanyl-4-phenyl-butyl)amino]-3-sulfanyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-tert-butyl-N-[1-oxidanylidene-1-[(1-oxidanyl-4-phenyl-butyl)amino]-3-sulfanyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-tert-butyl-N-[2-[(1-hydroxy-4-phenyl-butyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]quinoline-2-carboxamide CAS Name: N-tert-butyl-N-[1-[(1-hydroxy-4-phenylbutyl)amino]-3-mercapto-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-tert-butyl-N-[1-[(1-hydroxy-4-phenylbutyl)amino]-1-oxo-3-sulfanylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-tert-butyl-N-[2-[(1-hydroxy-4-phenyl-butyl)amino]-2-keto-1-(mercaptomethyl)ethyl]quinaldamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(CS)C(=O)NC(CCCC1=CC=CC=C1)O)C(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)N(C(CS)C(=O)NC(CCCC1=CC=CC=C1)O)C(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H33N3O3S/c1-27(2,3)30(26(33)22-17-16-20-13-7-8-14-21(20)28-22)23(18-34)25(32)29-24(31)15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16-17,23-24,31,34H,9,12,15,18H2,1-3H3,(H,29,32)