2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-(3-sulfamoylphenyl)propionamide Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C16H20N4O4S2/c1-3-5-11-9-14(21)20-16(19-11)25-10(2)15(22)18-12-6-4-7-13(8-12)26(17,23)24/h4,6-10H,3,5H2,1-2H3,(H,18,22)(H2,17,23,24)(H,19,20,21)