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

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(4-chlorobenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O3S/c1-2-3-9-19(22(28)29)30-23-25-20(16-7-5-4-6-8-16)18(21(27)26-23)14-15-10-12-17(24)13-11-15/h4-8,10-13,18-20,23,25H,2-3,9,14H2,1H3,(H,26,27)(H,28,29)