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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(4-chlorophenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperazino]-1-(4-chlorophenyl)-3-pyrroline-2,5-quinone Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2S/c22-14-5-7-15(8-6-14)26-19(27)13-17(20(26)28)24-9-11-25(12-10-24)21-23-16-3-1-2-4-18(16)29-21/h1-8,13H,9-12H2