N-(1-adamantylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c22-16(14-2-1-3-15(7-14)21(23)24)19-17(25)20-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H2,19,20,22,25)