N-(2-adamantylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c23-17(13-6-14(21(24)25)8-15(7-13)22(26)27)20-18(28)19-16-11-2-9-1-10(4-11)5-12(16)3-9/h6-12,16H,1-5H2,(H2,19,20,23,28)