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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

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