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

Systemtic Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O3S/c1-14-6-7-17-18(12-14)30-22(23-17)25-10-8-24(9-11-25)19(27)13-26-20(28)15-4-2-3-5-16(15)21(26)29/h2-7,12H,8-11,13H2,1H3