tert-butyl 4-[2-[2-(4-fluorophenyl)sulfanylethanoyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(4-fluorophenyl)sulfanylethanoyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[2-(4-fluorophenyl)sulfanylacetyl]-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[2-(4-fluorophenyl)sulfanylacetyl]-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(4-fluorophenyl)thio]acetyl]-methyl-amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28FN3O4S MolecularWeight: 425.517423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN(C)C(=O)CSC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN(C)C(=O)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C20H28FN3O4S/c1-20(2,3)28-19(27)24-11-9-23(10-12-24)17(25)13-22(4)18(26)14-29-16-7-5-15(21)6-8-16/h5-8H,9-14H2,1-4H3