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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-isopropylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(4-phenyl-1-piperazinyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-p-cumenyl-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28ClN3O2S/c1-20(2)21-8-12-24(13-9-21)33-28(34)26(27(29(33)35)36-25-14-10-22(30)11-15-25)32-18-16-31(17-19-32)23-6-4-3-5-7-23/h3-15,20H,16-19H2,1-2H3