tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-6-bromo-1-[(4-phenylthiazol-2-yl)carbamoyl]hexyl]carbamate CAS Name: N-[(2S)-7-bromo-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-7-bromo-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate Traditional Name: N-[(1S)-6-bromo-1-[(4-phenylthiazol-2-yl)carbamoyl]hexyl]carbamic acid tert-butyl ester Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCBr)C(=O)NC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCBr)C(=O)NC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C21H28BrN3O3S/c1-21(2,3)28-20(27)24-16(12-8-5-9-13-22)18(26)25-19-23-17(14-29-19)15-10-6-4-7-11-15/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,24,27)(H,23,25,26)/t16-/m0/s1