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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C23H16N4O5S2 MolecularWeight: 492.52694

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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=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O5S2/c28-22(26-24-11-16-9-19-20(32-13-31-19)10-18(16)27(29)30)15-7-5-14(6-8-15)12-33-23-25-17-3-1-2-4-21(17)34-23/h1-11H,12-13H2,(H,26,28)/b24-11+