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

Systemtic Name: N-aminocarbonyl-N-[4-[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]butylsulfanyl]-2-nitro-benzamide Openeye Name: N-[4-[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]butylsulfanyl]-N-carbamoyl-2-nitro-benzamide CAS Name: N-[4-[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]butylthio]-N-carbamoyl-2-nitrobenzamide IUPAC Name: N-[4-[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]butylsulfanyl]-N-carbamoyl-2-nitrobenzamide Traditional Name: N-[4-[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]butylthio]-N-carbamoyl-2-nitro-benzamide Formula: C22H19BrClN5O5S MolecularWeight: 580.83876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C(=O)N)SCCCCC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C(=O)N)SCCCCC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19BrClN5O5S/c23-15-12-26-22(27-13-15)34-19-9-8-14(11-17(19)24)5-3-4-10-35-28(21(25)31)20(30)16-6-1-2-7-18(16)29(32)33/h1-2,6-9,11-13H,3-5,10H2,(H2,25,31)