1-(3,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3,5-dimethylphenyl)-3-(4-methyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3,5-dimethylphenyl)-3-(4-methylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-16-13-17(2)15-18(14-16)26-22(27)20(25-11-9-24(3)10-12-25)21(23(26)28)29-19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3