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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2-chlorophenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-(2-chlorophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-(2-chlorophenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2-chlorophenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidino]-1-(2-chlorophenyl)-3-pyrroline-2,5-quinone Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=CC(=O)N(C4=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=CC(=O)N(C4=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H18ClN3O2S/c23-15-5-1-3-7-17(15)26-20(27)13-18(22(26)28)25-11-9-14(10-12-25)21-24-16-6-2-4-8-19(16)29-21/h1-8,13-14H,9-12H2