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

Systemtic Name: 2-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(benzylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C26H16N2O2S2 MolecularWeight: 452.54744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C26H16N2O2S2/c29-24-19-10-4-8-17-9-5-11-20(23(17)19)25(30)28(24)18-12-13-21-22(14-18)32-26(27-21)31-15-16-6-2-1-3-7-16/h1-14H,15H2