2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N4O3S/c1-2-15-7-8-18-19(13-15)31-23(24-18)26-11-9-25(10-12-26)20(28)14-27-21(29)16-5-3-4-6-17(16)22(27)30/h3-8,13H,2,9-12,14H2,1H3