2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C20H17N5O4S2/c21-10-16-18(14-4-2-1-3-5-14)24-20(25-19(16)27)30-12-17(26)23-11-13-6-8-15(9-7-13)31(22,28)29/h1-9H,11-12H2,(H,23,26)(H2,22,28,29)(H,24,25,27)