tert-butyl 4-[[4-azanyl-5-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-azanyl-5-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-amino-5-(3-fluoro-4-methoxy-benzoyl)thiazol-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-amino-5-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-2-thiazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-amino-5-(3-fluoro-4-methoxybenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-amino-5-(3-fluoro-4-methoxy-benzoyl)thiazol-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27FN4O4S MolecularWeight: 450.526883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=C(S2)C(=O)C3=CC(=C(C=C3)OC)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=C(S2)C(=O)C3=CC(=C(C=C3)OC)F)N

InChI

InChI=1S/C21H27FN4O4S/c1-21(2,3)30-20(28)26-9-7-13(8-10-26)24-19-25-18(23)17(31-19)16(27)12-5-6-15(29-4)14(22)11-12/h5-6,11,13H,7-10,23H2,1-4H3,(H,24,25)