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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-isopropylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-4-[4-(phenylmethyl)-1-piperazinyl]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-p-cumenyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C31H33N3O2S MolecularWeight: 511.67762

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2S/c1-22(2)25-11-13-26(14-12-25)34-30(35)28(29(31(34)36)37-27-15-9-23(3)10-16-27)33-19-17-32(18-20-33)21-24-7-5-4-6-8-24/h4-16,22H,17-21H2,1-3H3