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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]hexanoic acid Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]hexanoic acid CAS Name: 2-[2-[(4-chlorophenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid Traditional Name: 2-[2-[(4-chlorobenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]hexanoic acid Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CCCCC(C1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C)C(=O)O

InChI

InChI=1S/C18H25ClN2O3S/c1-3-4-5-14(17(23)24)15-11(2)20-18(21-16(15)22)25-10-12-6-8-13(19)9-7-12/h6-9,11,14-15,18,20H,3-5,10H2,1-2H3,(H,21,22)(H,23,24)