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

Systemtic Name: 3-(1H-indol-3-ylmethyl)-6-(methylsulfanylmethyl)piperazine-2,5-dione Openeye Name: 3-(1H-indol-3-ylmethyl)-6-(methylsulfanylmethyl)piperazine-2,5-dione CAS Name: 3-(1H-indol-3-ylmethyl)-6-[(methylthio)methyl]piperazine-2,5-dione IUPAC Name: 3-(1H-indol-3-ylmethyl)-6-(methylsulfanylmethyl)piperazine-2,5-dione Traditional Name: 3-(1H-indol-3-ylmethyl)-6-[(methylthio)methyl]piperazine-2,5-quinone Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CSCC1C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C15H17N3O2S/c1-21-8-13-15(20)17-12(14(19)18-13)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12-13,16H,6,8H2,1H3,(H,17,20)(H,18,19)