N-[4-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H27N5O2S/c1-18(30)26-20-9-7-19(8-10-20)16-28-11-4-12-29(14-13-28)24(31)17-32-23-15-25-21-5-2-3-6-22(21)27-23/h2-3,5-10,15H,4,11-14,16-17H2,1H3,(H,26,30)