N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-4-nitro-benzamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-4-nitrobenzamide Traditional Name: 4-nitro-N-(piazthiol-4-ylthiocarbamoyl)benzamide Formula: C14H9N5O3S2 MolecularWeight: 359.38296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O3S2/c20-13(8-4-6-9(7-5-8)19(21)22)16-14(23)15-10-2-1-3-11-12(10)18-24-17-11/h1-7H,(H2,15,16,20,23)