N-(3-ethanoylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H21N3O5S2/c1-3-15-7-9-18(10-8-15)32(29,30)19-12-23-22(25-21(19)28)31-13-20(27)24-17-6-4-5-16(11-17)14(2)26/h4-12H,3,13H2,1-2H3,(H,24,27)(H,23,25,28)