1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2S/c1-30-20-9-5-18(6-10-20)16-22(29)27-11-2-12-28(14-13-27)23-25-21(26-31-23)15-17-3-7-19(24)8-4-17/h3-10H,2,11-16H2,1H3