2-[6-[(6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[(6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]hexyl]isoindoline-1,3-quinone Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCSC3=NC4=C(S3)C=C(C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCSC3=NC4=C(S3)C=C(C=C4)O

InChI

InChI=1S/C21H20N2O3S2/c24-14-9-10-17-18(13-14)28-21(22-17)27-12-6-2-1-5-11-23-19(25)15-7-3-4-8-16(15)20(23)26/h3-4,7-10,13,24H,1-2,5-6,11-12H2