1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylsulfanylphenyl)piperazine-2,5-dione

Systemtic Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylsulfanylphenyl)piperazine-2,5-dione Openeye Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylsulfanylphenyl)piperazine-2,5-dione CAS Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(methylthio)phenyl]piperazine-2,5-dione IUPAC Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylsulfanylphenyl)piperazine-2,5-dione Traditional Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(methylthio)phenyl]piperazine-2,5-quinone Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2C3=CC4=C(C=C3)OCCO4)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CSC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2C3=CC4=C(C=C3)OCCO4)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H24N2O6S/c1-36-20-6-2-17(3-7-20)26-27(31)28(18-4-8-21-23(14-18)34-12-10-32-21)16-25(30)29(26)19-5-9-22-24(15-19)35-13-11-33-22/h2-9,14-15,26H,10-13,16H2,1H3