[5-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N4O4S/c1-17(28)30-15-19-8-7-18(31-19)14-26-9-4-10-27(12-11-26)23(29)16-32-22-13-24-20-5-2-3-6-21(20)25-22/h2-3,5-8,13H,4,9-12,14-16H2,1H3