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

Systemtic Name: N-(3-methoxyphenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-(1-octyl-4,6-dioxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[(1-octyl-4,6-dioxo-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-diketo-1-octyl-pyrimidin-2-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-4-5-6-7-8-12-24-20(27)14-18(25)23-21(24)29-15-19(26)22-16-10-9-11-17(13-16)28-2/h9-11,13H,3-8,12,14-15H2,1-2H3,(H,22,26)