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

Systemtic Name: 2-[2-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H17ClN4O3S MolecularWeight: 440.90268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H17ClN4O3S/c22-15-6-3-7-16-18(15)23-21(30-16)25-10-8-24(9-11-25)17(27)12-26-19(28)13-4-1-2-5-14(13)20(26)29/h1-7H,8-12H2