tert-butyl N-[6-(4-bromophenyl)-3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-methylsulfanyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[6-(4-bromophenyl)-3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-methylsulfanyl-phenyl]carbamate Openeye Name: tert-butyl N-[[3-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-6-cyano-5-methylsulfanyl-phenyl]methyl]carbamate CAS Name: N-[6-(4-bromophenyl)-3-cyano-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-(methylthio)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(4-bromophenyl)-3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-methylsulfanylphenyl]carbamate Traditional Name: N-[3-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-6-cyano-5-(methylthio)benzyl]carbamic acid tert-butyl ester Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C(=CC(=C1C#N)SC)C2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C(=CC(=C1C#N)SC)C2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H30BrN3O4S/c1-24(2,3)32-22(30)28-14-19-18(13-27)20(34-7)12-17(15-8-10-16(26)11-9-15)21(19)29-23(31)33-25(4,5)6/h8-12H,14H2,1-7H3,(H,28,30)(H,29,31)