zinc 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole diethanoate

Systemtic Name: zinc 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole diethanoate Openeye Name: zinc 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole diacetate CAS Name: zinc 2-[(1,3-diazacyclopentadec-2-en-2-ylthio)methyl]-1H-benzimidazole diacetate IUPAC Name: zinc 2-(1,3-diazacyclopentadec-2-en-2-ylsulfanylmethyl)-1H-benzimidazole diacetate Traditional Name: zinc 2-[(1,3-diazacyclopentadec-2-en-2-ylthio)methyl]-1H-benzimidazole diacetate Formula: C25H38N4O4SZn MolecularWeight: 556.06762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1CCCCCCN=C(NCCCCC1)SCC2=NC3=CC=CC=C3N2.[Zn+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1CCCCCCN=C(NCCCCC1)SCC2=NC3=CC=CC=C3N2.[Zn+2]

InChI

InChI=1S/C21H32N4S.2C2H4O2.Zn/c1-2-4-6-8-12-16-23-21(22-15-11-7-5-3-1)26-17-20-24-18-13-9-10-14-19(18)25-20;2*1-2(3)4;/h9-10,13-14H,1-8,11-12,15-17H2,(H,22,23)(H,24,25);2*1H3,(H,3,4);/q;;;+2/p-2