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

Systemtic Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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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)NC3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-2-3-7-16-10-12-18(13-11-16)31(28,29)19-14-23-22(25-21(19)27)30-15-20(26)24-17-8-5-4-6-9-17/h10-14,17H,2-9,15H2,1H3,(H,24,26)(H,23,25,27)