N-(2-adamantylmethylcarbamothioyl)adamantane-1-carboxamide

Systemtic Name: N-(2-adamantylmethylcarbamothioyl)adamantane-1-carboxamide Openeye Name: N-(2-adamantylmethylcarbamothioyl)adamantane-1-carboxamide CAS Name: N-[(2-adamantylmethylamino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(2-adamantylmethylcarbamothioyl)adamantane-1-carboxamide Traditional Name: N-(2-adamantylmethylthiocarbamoyl)adamantane-1-carboxamide Formula: C23H34N2OS MolecularWeight: 386.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3CNC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3CNC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H34N2OS/c26-21(23-9-15-2-16(10-23)4-17(3-15)11-23)25-22(27)24-12-20-18-5-13-1-14(7-18)8-19(20)6-13/h13-20H,1-12H2,(H2,24,25,26,27)