2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-(1-naphthylmethyl)-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c1-15(23(28)29)30-24-25-21(17-9-3-2-4-10-17)20(22(27)26-24)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13,15,20-21,24-25H,14H2,1H3,(H,26,27)(H,28,29)