3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C15H9N5O5S2 MolecularWeight: 403.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H9N5O5S2/c21-13(8-2-1-3-9(6-8)19(22)23)17-14(26)18-15-16-11-5-4-10(20(24)25)7-12(11)27-15/h1-7H,(H2,16,17,18,21,26)