1-(4-methylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(4-methylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4-phenylpiperazin-1-yl)-1-(p-tolyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-methylphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-methylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-(4-phenylpiperazino)-1-(p-tolyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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