2-(1-adamantyl)-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-(1-adamantyl)acetamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-2-(1-adamantyl)acetamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-(1-adamantyl)acetamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-2-(1-adamantyl)acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O4S2/c1-13(25)24-30(27,28)18-4-2-17(3-5-18)22-20(29)23-19(26)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,24,25)(H2,22,23,26,29)