N-[(carbamothioylamino)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(carbamothioylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(carbamothioylamino)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(carbamothioylhydrazo)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(carbamothioylamino)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(thioureidothiocarbamoyl)benzamide Formula: C9H8N6O5S2 MolecularWeight: 344.32702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N6O5S2/c10-8(21)12-13-9(22)11-7(16)4-1-5(14(17)18)3-6(2-4)15(19)20/h1-3H,(H3,10,12,21)(H2,11,13,16,22)