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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN(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

CCCCSN(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/C22H19BrClN5O5S/c1-2-3-10-35-28(22(31)27-20(30)16-6-4-5-7-18(16)29(32)33)15-8-9-19(17(24)11-15)34-21-25-12-14(23)13-26-21/h4-9,11-13H,2-3,10H2,1H3,(H,27,30,31)