1-(4-ethylphenyl)-3-(4-methylphenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 1-(4-ethylphenyl)-3-(4-methylphenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-ethylphenyl)-3-[(4-methylphenyl)thio]-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-(4-ethylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C30H31N3O2S MolecularWeight: 497.65104

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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)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-3-23-11-13-25(14-12-23)33-29(34)27(28(30(33)35)36-26-15-9-22(2)10-16-26)32-19-17-31(18-20-32)21-24-7-5-4-6-8-24/h4-16H,3,17-21H2,1-2H3