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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-23-12-14-26(15-13-23)36-28-27(29(34)33(30(28)35)17-16-24-8-4-2-5-9-24)32-20-18-31(19-21-32)22-25-10-6-3-7-11-25/h2-15H,16-22H2,1H3