(2E,4E)-3-methyl-N-(2-methylpropyl)-11-quinolin-2-ylsulfanyloxy-undeca-2,4-dienamide

Systemtic Name: (2E,4E)-3-methyl-N-(2-methylpropyl)-11-quinolin-2-ylsulfanyloxy-undeca-2,4-dienamide Openeye Name: (2E,4E)-N-isobutyl-3-methyl-11-(2-quinolylsulfanyloxy)undeca-2,4-dienamide CAS Name: 2-quinolinesulfenic acid [(7E,9E)-9-methyl-11-(2-methylpropylamino)-11-oxoundeca-7,9-dienyl] ester IUPAC Name: (2E,4E)-3-methyl-N-(2-methylpropyl)-11-quinolin-2-ylsulfanyloxyundeca-2,4-dienamide Traditional Name: (2E,4E)-N-isobutyl-3-methyl-11-(2-quinolylthio)oxy-undeca-2,4-dienamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C=C(C)C=CCCCCCCOSC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CNC(=O)/C=C(\C)/C=C/CCCCCCOSC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C25H34N2O2S/c1-20(2)19-26-24(28)18-21(3)12-8-6-4-5-7-11-17-29-30-25-16-15-22-13-9-10-14-23(22)27-25/h8-10,12-16,18,20H,4-7,11,17,19H2,1-3H3,(H,26,28)/b12-8+,21-18+