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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C27H28FN3O2S MolecularWeight: 477.593523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O2S/c28-22-12-14-23(15-13-22)29-25(32)20-30-16-7-17-31(19-18-30)27(33)26(21-8-3-1-4-9-21)34-24-10-5-2-6-11-24/h1-6,8-15,26H,7,16-20H2,(H,29,32)