N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C22H25N5O3S2/c28-19(22-11-14-8-15(12-22)10-16(9-14)13-22)26-21(31)25-17-2-4-18(5-3-17)32(29,30)27-20-23-6-1-7-24-20/h1-7,14-16H,8-13H2,(H,23,24,27)(H2,25,26,28,31)