N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27N5O4S2/c1-32-20-7-6-19(26-27-20)28-34(30,31)18-4-2-17(3-5-18)24-22(33)25-21(29)23-11-14-8-15(12-23)10-16(9-14)13-23/h2-7,14-16H,8-13H2,1H3,(H,26,28)(H2,24,25,29,33)