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

Systemtic Name: 2-nitro-N-(3-oxidanylpropylcarbamothioyl)benzamide Openeye Name: N-(3-hydroxypropylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(3-hydroxypropylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(3-hydroxypropylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(3-hydroxypropylthiocarbamoyl)-2-nitro-benzamide Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c15-7-3-6-12-11(19)13-10(16)8-4-1-2-5-9(8)14(17)18/h1-2,4-5,15H,3,6-7H2,(H2,12,13,16,19)