3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-(4-ethanoylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-(4-ethanoylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propan-1-one Traditional Name: 1-(4-acetylpiperazino)-3-[butyl-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one Formula: C22H30FN5O2S MolecularWeight: 447.569303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)N1CCN(CC1)C(=O)C)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN(CCC(=O)N1CCN(CC1)C(=O)C)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H30FN5O2S/c1-3-4-10-28(11-9-21(30)27-14-12-26(13-15-27)17(2)29)22-24-20(25-31-22)16-18-5-7-19(23)8-6-18/h5-8H,3-4,9-16H2,1-2H3