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

Systemtic Name: 3-(1H-indol-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 3-(1H-indol-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 3-(1H-indol-3-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 3-(1H-indol-3-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 3-(1H-indol-3-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CSCCC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H19N3O2S/c1-22-7-6-13-15(20)19-14(16(21)18-13)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13-14,17H,6-8H2,1H3,(H,18,21)(H,19,20)