2-(6-thiomorpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(6-thiomorpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)isoindole-1,3-dione Openeye Name: 2-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[6-[oxo(thiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[6-(thiomorpholine-4-carbonyl)-1,3-benzothiazol-2-yl]isoindoline-1,3-quinone Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H15N3O3S2/c24-17(22-7-9-27-10-8-22)12-5-6-15-16(11-12)28-20(21-15)23-18(25)13-3-1-2-4-14(13)19(23)26/h1-6,11H,7-10H2