N-(tert-butylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(tert-butylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(tert-butylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(tert-butylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(tert-butylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(tert-butylthiocarbamoyl)-3-nitro-benzamide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-12(2,3)14-11(19)13-10(16)8-5-4-6-9(7-8)15(17)18/h4-7H,1-3H3,(H2,13,14,16,19)