4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C23H17N5O5S MolecularWeight: 475.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O5S/c29-22(27-24-11-16-9-20-21(33-13-32-20)10-19(16)28(30)31)15-7-5-14(6-8-15)12-34-23-25-17-3-1-2-4-18(17)26-23/h1-11H,12-13H2,(H,25,26)(H,27,29)