N-(1-adamantylcarbamothioyl)-4-nitro-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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