tert-butyl N-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26BrN3O4/c1-14-11-16(23)9-10-18(14)25-19(27)13-26(5)20(28)15-7-6-8-17(12-15)24-21(29)30-22(2,3)4/h6-12H,13H2,1-5H3,(H,24,29)(H,25,27)