3-(1-benzothiophen-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 3-(1-benzothiophen-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 3-(benzothiophen-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 3-(1-benzothiophen-3-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 3-(1-benzothiophen-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 3-(benzothiophen-3-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NC(C(=O)N1)CC2=CSC3=CC=CC=C32

Isomeric SMILES

CSCCC1C(=O)NC(C(=O)N1)CC2=CSC3=CC=CC=C32

InChI

InChI=1S/C16H18N2O2S2/c1-21-7-6-12-15(19)18-13(16(20)17-12)8-10-9-22-14-5-3-2-4-11(10)14/h2-5,9,12-13H,6-8H2,1H3,(H,17,20)(H,18,19)