tert-butyl N-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(4-bromoanilino)-2-oxo-1-(phenylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-(4-bromoanilino)-1-oxo-3-(phenylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(4-bromoanilino)-1-oxo-3-phenylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(4-bromoanilino)-2-keto-1-[(phenylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-20(2,3)26-19(25)23-17(13-27-16-7-5-4-6-8-16)18(24)22-15-11-9-14(21)10-12-15/h4-12,17H,13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1