2-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanamide Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylacetamide CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-27-16-10-8-14(9-11-16)12-17-19(15-6-4-3-5-7-15)23-21(24-20(17)26)28-13-18(22)25/h3-11,17,19,21,23H,2,12-13H2,1H3,(H2,22,25)(H,24,26)