N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]-decylsulfanyl-carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]-decylsulfanyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]-decylsulfanyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloro-N-(decylthio)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]-decylsulfanylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]-(decylthio)carbamoyl]-2-nitro-benzamide Formula: C28H31BrClN5O5S MolecularWeight: 664.99824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSN(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)Cl)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCSN(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)Cl)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C28H31BrClN5O5S/c1-2-3-4-5-6-7-8-11-16-41-34(28(37)33-26(36)22-12-9-10-13-24(22)35(38)39)21-14-15-25(23(30)17-21)40-27-31-18-20(29)19-32-27/h9-10,12-15,17-19H,2-8,11,16H2,1H3,(H,33,36,37)