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

Systemtic Name: (3R)-3-[(1-methylindol-3-yl)methyl]-6-(methylsulfanylmethyl)piperazine-2,5-dione Openeye Name: (3R)-3-[(1-methylindol-3-yl)methyl]-6-(methylsulfanylmethyl)piperazine-2,5-dione CAS Name: (3R)-3-[(1-methyl-3-indolyl)methyl]-6-[(methylthio)methyl]piperazine-2,5-dione IUPAC Name: (3R)-3-[(1-methylindol-3-yl)methyl]-6-(methylsulfanylmethyl)piperazine-2,5-dione Traditional Name: (3R)-3-[(1-methylindol-3-yl)methyl]-6-[(methylthio)methyl]piperazine-2,5-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H]3C(=O)NC(C(=O)N3)CSC

InChI

InChI=1S/C16H19N3O2S/c1-19-8-10(11-5-3-4-6-14(11)19)7-12-15(20)18-13(9-22-2)16(21)17-12/h3-6,8,12-13H,7,9H2,1-2H3,(H,17,21)(H,18,20)/t12-,13?/m1/s1