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

Systemtic Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[5-(4-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-(3-chlorophenyl)acetamide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O4S2/c1-2-3-5-15-8-10-18(11-9-15)32(29,30)19-13-24-22(26-21(19)28)31-14-20(27)25-17-7-4-6-16(23)12-17/h4,6-13H,2-3,5,14H2,1H3,(H,25,27)(H,24,26,28)