N-(tert-butylcarbamothioyl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(tert-butylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(tert-butylcarbamothioyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(tert-butylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(tert-butylthiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-13(2,3)15-12(21)14-11(17)8-5-6-10(20-4)9(7-8)16(18)19/h5-7H,1-4H3,(H2,14,15,17,21)