3-[(5-bromanylthiophen-2-yl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[(5-bromo-2-thienyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione CAS Name: 3-[(5-bromo-2-thiophenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione IUPAC Name: 3-[(5-bromothiophen-2-yl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[(5-bromo-2-thienyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C13H13BrN4O2S MolecularWeight: 369.23692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3

Isomeric SMILES

C1=C(SC(=C1)Br)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3

InChI

InChI=1S/C13H13BrN4O2S/c14-11-2-1-8(21-11)4-10-13(20)17-9(12(19)18-10)3-7-5-15-6-16-7/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,20)(H,18,19)