3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenyl-pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenylpyrrole-2,5-dione Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperazino]-1-phenyl-3-pyrroline-2,5-quinone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=O)N(C2=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC(=O)N(C2=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O2S/c26-19-14-17(20(27)25(19)15-6-2-1-3-7-15)23-10-12-24(13-11-23)21-22-16-8-4-5-9-18(16)28-21/h1-9,14H,10-13H2