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

Systemtic Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[5-(4-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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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)NC3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3CCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-2-3-6-15-9-11-17(12-10-15)30(27,28)18-13-22-21(24-20(18)26)29-14-19(25)23-16-7-4-5-8-16/h9-13,16H,2-8,14H2,1H3,(H,23,25)(H,22,24,26)