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

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanamide Openeye Name: 2-[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylacetamide CAS Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetamide IUPAC Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(2,5-dimethylbenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-13-8-9-14(2)16(10-13)11-17-19(15-6-4-3-5-7-15)23-21(24-20(17)26)27-12-18(22)25/h3-10,17,19,21,23H,11-12H2,1-2H3,(H2,22,25)(H,24,26)