2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H14N4O2S2 MolecularWeight: 442.51286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C23H14N4O2S2/c28-21-14-5-1-2-6-15(14)22(29)27(21)13-9-10-18-19(11-13)31-23(26-18)30-12-20-24-16-7-3-4-8-17(16)25-20/h1-11H,12H2,(H,24,25)