N-(3-methylsulfanylphenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-isopropylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[(6-keto-5-p-cumenylsulfonyl-1H-pyrimidin-2-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S3/c1-14(2)15-7-9-18(10-8-15)32(28,29)19-12-23-22(25-21(19)27)31-13-20(26)24-16-5-4-6-17(11-16)30-3/h4-12,14H,13H2,1-3H3,(H,24,26)(H,23,25,27)