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

Systemtic Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(4-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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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)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S2/c1-2-3-7-19-10-12-20(13-11-19)33(30,31)21-16-26-24(27-23(21)29)32-17-22(28)25-15-14-18-8-5-4-6-9-18/h4-6,8-13,16H,2-3,7,14-15,17H2,1H3,(H,25,28)(H,26,27,29)