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

Systemtic Name: 1-(4-ethylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-ethylphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-ethylphenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-ethylphenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(4-ethylphenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=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/C29H29N3O2S/c1-3-22-11-13-24(14-12-22)32-28(33)26(27(29(32)34)35-25-15-9-21(2)10-16-25)31-19-17-30(18-20-31)23-7-5-4-6-8-23/h4-16H,3,17-20H2,1-2H3