N,N'-bis[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]ethanediamide

Systemtic Name: N,N'-bis[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]ethanediamide Openeye Name: N,N'-bis[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]oxamide CAS Name: N,N'-bis[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]oxamide IUPAC Name: N,N'-bis[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]oxamide Traditional Name: N,N'-bis[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]oxamide Formula: C28H16N6O6S4 MolecularWeight: 660.72324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

InChI=1S/C28H16N6O6S4/c35-25(29-15-9-17(33(37)38)13-19(11-15)41-27-31-21-5-1-3-7-23(21)43-27)26(36)30-16-10-18(34(39)40)14-20(12-16)42-28-32-22-6-2-4-8-24(22)44-28/h1-14H,(H,29,35)(H,30,36)