2-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-3-(methylthio)-1-(4-piperonylpiperazine-1-carbonyl)propyl]isoindoline-1,3-quinone Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSCC[C@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H27N3O5S/c1-34-13-8-20(28-23(29)18-4-2-3-5-19(18)24(28)30)25(31)27-11-9-26(10-12-27)15-17-6-7-21-22(14-17)33-16-32-21/h2-7,14,20H,8-13,15-16H2,1H3/t20-/m1/s1