(2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2S)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2S)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-6-10-16(11-7-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-4-8-15(32-2)9-5-13/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)/t18-/m0/s1