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

Systemtic Name: 1-(4-ethylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-ethylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-(4-ethylphenyl)-4-(phenylthio)-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=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O2S/c1-2-22-13-15-24(16-14-22)32-28(33)26(27(29(32)34)35-25-11-7-4-8-12-25)31-19-17-30(18-20-31)21-23-9-5-3-6-10-23/h3-16H,2,17-21H2,1H3