N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H14N6O5S2 MolecularWeight: 422.43886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C15H14N6O5S2/c16-14(17)20-28(25,26)12-6-4-10(5-7-12)18-15(27)19-13(22)9-2-1-3-11(8-9)21(23)24/h1-8H,(H4,16,17,20)(H2,18,19,22,27)