N-[[2,4,5-tris(chloranyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[2,4,5-tris(chloranyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2,4,5-trichlorophenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[sulfanylidene-(2,4,5-trichloroanilino)methyl]-1-adamantanecarboxamide IUPAC Name: N-[(2,4,5-trichlorophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2,4,5-trichlorophenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H19Cl3N2OS MolecularWeight: 417.78026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=C(C=C4Cl)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C18H19Cl3N2OS/c19-12-4-14(21)15(5-13(12)20)22-17(25)23-16(24)18-6-9-1-10(7-18)3-11(2-9)8-18/h4-5,9-11H,1-3,6-8H2,(H2,22,23,24,25)