N-(4-methylphenyl)sulfonyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: N-(4-methylphenyl)sulfonyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-methylphenyl)sulfonyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-tosyl-acetamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H19N3O4S2/c1-3-4-12-9-14(20)18-16(17-12)24-10-15(21)19-25(22,23)13-7-5-11(2)6-8-13/h5-9H,3-4,10H2,1-2H3,(H,19,21)(H,17,18,20)