1-phenethyl-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-phenethyl-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-phenethyl-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-phenethyl-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-phenethyl-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-phenethyl-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H27N3O2S MolecularWeight: 469.59788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c32-27-25(30-20-18-29(19-21-30)23-12-6-2-7-13-23)26(34-24-14-8-3-9-15-24)28(33)31(27)17-16-22-10-4-1-5-11-22/h1-15H,16-21H2