N-(3-ethanoylphenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(1-octyl-4,6-dioxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(1-octyl-4,6-dioxo-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(4,6-diketo-1-octyl-pyrimidin-2-yl)thio]acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-3-4-5-6-7-8-12-25-21(29)14-19(27)24-22(25)30-15-20(28)23-18-11-9-10-17(13-18)16(2)26/h9-11,13H,3-8,12,14-15H2,1-2H3,(H,23,28)