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

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-chloro-2-methyl-phenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-chloro-2-methylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-chloro-2-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-(4-chloro-2-methyl-phenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H26ClN3O2S MolecularWeight: 504.04294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2S/c1-20-18-22(29)12-13-24(20)32-27(33)25(26(28(32)34)35-23-10-6-3-7-11-23)31-16-14-30(15-17-31)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3