3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 1-(4-isopropylphenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 1-p-cumenyl-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C30H31N3O2S MolecularWeight: 497.65104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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