tert-butyl N-[(2S)-1-[[2-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]carbamoylcarbamoyl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[2-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]carbamoylcarbamoyl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[2-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-[2-[[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroanilino]-oxomethyl]amino]-oxomethyl]anilino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoylcarbamoyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[2-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C28H30BrClN6O6S MolecularWeight: 693.9964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC1=CC=CC=C1C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC1=CC=CC=C1C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl

InChI

InChI=1S/C28H30BrClN6O6S/c1-28(2,3)42-27(40)35-21(11-12-43-4)24(38)34-20-8-6-5-7-18(20)23(37)36-25(39)33-17-9-10-22(19(30)13-17)41-26-31-14-16(29)15-32-26/h5-10,13-15,21H,11-12H2,1-4H3,(H,34,38)(H,35,40)(H2,33,36,37,39)/t21-/m0/s1