2-nitro-N-(2-oxidanylpropylcarbamothioyl)benzamide

Systemtic Name: 2-nitro-N-(2-oxidanylpropylcarbamothioyl)benzamide Openeye Name: N-(2-hydroxypropylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(2-hydroxypropylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(2-hydroxypropylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(2-hydroxypropylthiocarbamoyl)-2-nitro-benzamide Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-7(15)6-12-11(19)13-10(16)8-4-2-3-5-9(8)14(17)18/h2-5,7,15H,6H2,1H3,(H2,12,13,16,19)