N-(1-adamantylcarbamothioyl)-2-bromanyl-5-nitro-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-bromanyl-5-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-bromo-5-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-bromo-5-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-bromo-5-nitro-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

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