N-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[5-(dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O3S2/c1-13-4-5-17(29(26,27)24(2)3)9-18(13)22-20(28)23-19(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h4-5,9,14-16H,6-8,10-12H2,1-3H3,(H2,22,23,25,28)