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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C23H24FN5O2S MolecularWeight: 453.532363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN5O2S/c24-17-6-8-18(9-7-17)26-21(30)15-28-10-3-11-29(13-12-28)23(31)16-32-22-14-25-19-4-1-2-5-20(19)27-22/h1-2,4-9,14H,3,10-13,15-16H2,(H,26,30)