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

Systemtic Name: [4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone Openeye Name: [4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone CAS Name: [4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone IUPAC Name: [4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone Traditional Name: [4-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone Formula: C27H33FN4OS MolecularWeight: 480.640523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4OS/c1-2-3-4-5-7-21-8-12-23(13-9-21)26(33)31-16-6-17-32(19-18-31)27-29-25(30-34-27)20-22-10-14-24(28)15-11-22/h8-15H,2-7,16-20H2,1H3