tert-butyl 4-[[2-azanylidene-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-azanylidene-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H24F3N3O2S MolecularWeight: 415.47297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)C(F)(F)F)SC2=N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)C(F)(F)F)SC2=N

InChI

InChI=1S/C19H24F3N3O2S/c1-18(2,3)27-17(26)24-8-6-12(7-9-24)11-25-14-5-4-13(19(20,21)22)10-15(14)28-16(25)23/h4-5,10,12,23H,6-9,11H2,1-3H3