N-(2,5-dimethylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide CAS Name: N-(2,5-dimethylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]butyramide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C)C)SC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C)C)SC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25N3O4S2/c1-5-19(21(27)25-18-12-15(3)6-9-16(18)4)31-23-24-13-20(22(28)26-23)32(29,30)17-10-7-14(2)8-11-17/h6-13,19H,5H2,1-4H3,(H,25,27)(H,24,26,28)