N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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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=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

InChI

InChI=1S/C21H24N4O3S3/c26-18(21-10-13-7-14(11-21)9-15(8-13)12-21)24-19(29)23-16-1-3-17(4-2-16)31(27,28)25-20-22-5-6-30-20/h1-6,13-15H,7-12H2,(H,22,25)(H2,23,24,26,29)