2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-keto-2-piperidino-ethyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H19N3O3S2/c26-19(24-10-4-1-5-11-24)13-29-22-23-17-9-8-14(12-18(17)30-22)25-20(27)15-6-2-3-7-16(15)21(25)28/h2-3,6-9,12H,1,4-5,10-11,13H2