tert-butyl 4-[[2-(2-fluorophenyl)sulfanylethanoylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2-fluorophenyl)sulfanylethanoylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[(2-fluorophenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[(2-fluorophenyl)thio]acetyl]amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26FN3O4S MolecularWeight: 411.490843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C19H26FN3O4S/c1-19(2,3)27-18(26)23-10-8-13(9-11-23)17(25)22-21-16(24)12-28-15-7-5-4-6-14(15)20/h4-7,13H,8-12H2,1-3H3,(H,21,24)(H,22,25)