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

Systemtic Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C26H15BrN2O2S2 MolecularWeight: 531.4435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=C(S5)SCC6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC5=C(C=C4)N=C(S5)SCC6=CC=C(C=C6)Br

InChI

InChI=1S/C26H15BrN2O2S2/c27-17-9-7-15(8-10-17)14-32-26-28-21-12-11-18(13-22(21)33-26)29-24(30)19-5-1-3-16-4-2-6-20(23(16)19)25(29)31/h1-13H,14H2