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

Systemtic Name: 2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(4-fluorophenyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24FN3O2S/c22-17-7-9-19(10-8-17)28-16-21(27)25-12-4-11-24(13-14-25)15-20(26)23-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,23,26)