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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-diethoxyphosphinothioyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-diethoxyphosphinothioyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-N-diethoxyphosphinothioyl-3-methylanilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-diethoxyphosphinothioylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-diethoxythiophosphoryl-carbamoyl]-2-nitro-benzamide Formula: C23H23BrN5O7PS MolecularWeight: 624.400781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(N(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=S)(N(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

InChI

InChI=1S/C23H23BrN5O7PS/c1-4-34-37(38,35-5-2)28(23(31)27-21(30)18-8-6-7-9-19(18)29(32)33)17-10-11-20(15(3)12-17)36-22-25-13-16(24)14-26-22/h6-14H,4-5H2,1-3H3,(H,27,30,31)