2-(2-phenethylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-phenethylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Openeye Name: 2-(2-phenethylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 2-[2-(phenethylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-phenethylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 2-[2-(phenethylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H16N2O2S2 MolecularWeight: 416.51534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16N2O2S2/c26-21-17-8-4-5-9-18(17)22(27)25(21)16-10-11-19-20(14-16)29-23(24-19)28-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2