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

Systemtic Name: 2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(1-octyl-4,6-dioxo-pyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(1-octyl-4,6-dioxo-2-pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4,6-diketo-1-octyl-pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3S/c1-2-3-4-5-6-10-15-25-21(28)16-19(26)24-22(25)29-17-20(27)23-14-13-18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3,(H,23,27)