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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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