2-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-3-keto-propyl]thio]acetamide Formula: C17H24FN3O2S MolecularWeight: 353.454763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSCC(=O)N)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSCC(=O)N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O2S/c18-15-4-2-14(3-5-15)12-20-7-1-8-21(10-9-20)17(23)6-11-24-13-16(19)22/h2-5H,1,6-13H2,(H2,19,22)