(3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(thiophen-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(thiophen-2-ylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(2-thienylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(thiophen-2-ylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(thiophen-2-ylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(2-thenyl)piperazine-2,5-quinone Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(C(=O)N1)CC2=CN=CN2)CC3=CC=CS3

Isomeric SMILES

C[C@@]1(C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)CC3=CC=CS3

InChI

InChI=1S/C14H16N4O2S/c1-14(6-10-3-2-4-21-10)13(20)17-11(12(19)18-14)5-9-7-15-8-16-9/h2-4,7-8,11H,5-6H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t11-,14-/m0/s1