(3R,6R)-3-[(1-methylindol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: (3R,6R)-3-[(1-methylindol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: (3R,6R)-3-[(1-methylindol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: (3R,6R)-3-[(1-methyl-3-indolyl)methyl]-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: (3R,6R)-3-[(1-methylindol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: (3R,6R)-3-[(1-methylindol-3-yl)methyl]-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CCSC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H]3C(=O)N[C@@H](C(=O)N3)CCSC

InChI

InChI=1S/C17H21N3O2S/c1-20-10-11(12-5-3-4-6-15(12)20)9-14-17(22)18-13(7-8-23-2)16(21)19-14/h3-6,10,13-14H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t13-,14-/m1/s1