2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-acetamide CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-phenethylacetamide IUPAC Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-phenethylacetamide Traditional Name: 2-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-acetamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-25(14-19(26)22-12-11-15-5-3-2-4-6-15)20-23-18(24-27-20)13-16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3,(H,22,26)