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

Systemtic Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[5-(4-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[5-(4-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-(2-thenyl)acetamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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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)NCC3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H23N3O4S3/c1-2-3-5-15-7-9-17(10-8-15)31(27,28)18-13-23-21(24-20(18)26)30-14-19(25)22-12-16-6-4-11-29-16/h4,6-11,13H,2-3,5,12,14H2,1H3,(H,22,25)(H,23,24,26)