2-(4-fluorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C18H23FN4OS MolecularWeight: 362.464823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN4OS/c1-21-10-7-20-17(21)13-22-8-2-9-23(12-11-22)18(24)14-25-16-5-3-15(19)4-6-16/h3-7,10H,2,8-9,11-14H2,1H3