N-(2-adamantylcarbamothioyl)-2-bromanyl-5-nitro-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-bromanyl-5-nitro-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-bromo-5-nitro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-bromo-5-nitrobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-bromo-5-nitro-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c19-15-2-1-13(22(24)25)8-14(15)17(23)21-18(26)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H2,20,21,23,26)