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

Systemtic Name: 2-[4-methylsulfanyl-1-oxidanylidene-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-methylsulfanyl-1-(4-thiazol-2-ylpiperazine-1-carbonyl)propyl]isoindoline-1,3-dione CAS Name: 2-[4-(methylthio)-1-oxo-1-[4-(2-thiazolyl)-1-piperazinyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-methylsulfanyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-(methylthio)-1-(4-thiazol-2-ylpiperazine-1-carbonyl)propyl]isoindoline-1,3-quinone Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CS2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=NC=CS2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H22N4O3S2/c1-28-12-6-16(24-17(25)14-4-2-3-5-15(14)18(24)26)19(27)22-8-10-23(11-9-22)20-21-7-13-29-20/h2-5,7,13,16H,6,8-12H2,1H3