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

Systemtic Name: 4-nitro-N-(3-oxidanylpropylcarbamothioyl)benzamide Openeye Name: N-(3-hydroxypropylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[(3-hydroxypropylamino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(3-hydroxypropylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(3-hydroxypropylthiocarbamoyl)-4-nitro-benzamide Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S/c15-7-1-6-12-11(19)13-10(16)8-2-4-9(5-3-8)14(17)18/h2-5,15H,1,6-7H2,(H2,12,13,16,19)