2-[(5-heptyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid

Systemtic Name: 2-[(5-heptyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(5-heptyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-heptyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C23H36N2O3S/c1-3-5-7-8-12-15-18-20(17-13-10-9-11-14-17)24-23(25-21(18)26)29-19(22(27)28)16-6-4-2/h9-11,13-14,18-20,23-24H,3-8,12,15-16H2,1-2H3,(H,25,26)(H,27,28)