2-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-(4-benzylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]isoindoline-1,3-dione CAS Name: 2-[4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-(4-benzylpiperazine-1-carbonyl)-3-(methylthio)propyl]isoindoline-1,3-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O3S/c1-31-16-11-21(27-22(28)19-9-5-6-10-20(19)23(27)29)24(30)26-14-12-25(13-15-26)17-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3