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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3,5-dimethylphenyl)-3-(4-ethyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3,5-dimethylphenyl)-3-(4-ethylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)SC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-4-25-10-12-26(13-11-25)21-22(30-20-8-6-5-7-9-20)24(29)27(23(21)28)19-15-17(2)14-18(3)16-19/h5-9,14-16H,4,10-13H2,1-3H3