2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-[(4-fluorophenyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C23H28FN3O2S MolecularWeight: 429.550723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28FN3O2S/c24-20-7-9-21(10-8-20)30-18-23(29)27-14-4-13-26(15-16-27)17-22(28)25-12-11-19-5-2-1-3-6-19/h1-3,5-10H,4,11-18H2,(H,25,28)