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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(phenylmethyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-benzylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-1-(phenylmethyl)-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-benzylpiperazin-1-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(4-benzylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H29N3O2S MolecularWeight: 483.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c1-22-12-14-25(15-13-22)35-27-26(28(33)32(29(27)34)21-24-10-6-3-7-11-24)31-18-16-30(17-19-31)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3