N-(5-chloranyl-2-methoxy-phenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(1-octyl-4,6-dioxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(1-octyl-4,6-dioxo-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4,6-diketo-1-octyl-pyrimidin-2-yl)thio]acetamide Formula: C21H28ClN3O4S MolecularWeight: 453.98272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4S/c1-3-4-5-6-7-8-11-25-20(28)13-18(26)24-21(25)30-14-19(27)23-16-12-15(22)9-10-17(16)29-2/h9-10,12H,3-8,11,13-14H2,1-2H3,(H,23,27)