tert-butyl 4-[2-fluoranyl-4-(2-morpholin-4-yl-2-sulfanylidene-ethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(2-morpholin-4-yl-2-sulfanylidene-ethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-(2-morpholino-2-thioxo-ethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[2-(4-morpholinyl)-2-sulfanylideneethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-(2-morpholino-2-thioxo-ethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30FN3O3S MolecularWeight: 423.544603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)CC(=S)N3CCOCC3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)CC(=S)N3CCOCC3)F

InChI

InChI=1S/C21H30FN3O3S/c1-21(2,3)28-20(26)25-8-6-23(7-9-25)18-5-4-16(14-17(18)22)15-19(29)24-10-12-27-13-11-24/h4-5,14H,6-13,15H2,1-3H3