N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C23H14N4O5S MolecularWeight: 458.44606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14N4O5S/c28-19(11-33-23-25-16-9-8-12(27(31)32)10-18(16)26-23)24-17-7-3-6-15-20(17)22(30)14-5-2-1-4-13(14)21(15)29/h1-10H,11H2,(H,24,28)(H,25,26)