N-(2-methylpropylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(2-methylpropylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(isobutylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(2-methylpropylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(2-methylpropylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(isobutylthiocarbamoyl)-3-nitro-benzamide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-8(2)7-13-12(19)14-11(16)9-4-3-5-10(6-9)15(17)18/h3-6,8H,7H2,1-2H3,(H2,13,14,16,19)