2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H13BrN2O2S2 MolecularWeight: 481.38482

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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=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H13BrN2O2S2/c23-14-7-5-13(6-8-14)12-28-22-24-18-10-9-15(11-19(18)29-22)25-20(26)16-3-1-2-4-17(16)21(25)27/h1-11H,12H2