N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]benzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]benzamide Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O5S2/c1-30(27,28)14-6-9(15(24)22-16(18)19)2-3-10(14)8-29-17-20-12-5-4-11(23(25)26)7-13(12)21-17/h2-7H,8H2,1H3,(H,20,21)(H4,18,19,22,24)