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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O2S/c1-20-17-21(2)19-23(18-20)31-27(32)25(26(28(31)33)34-24-11-7-4-8-12-24)30-15-13-29(14-16-30)22-9-5-3-6-10-22/h3-12,17-19H,13-16H2,1-2H3