methyl N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]amino]sulfanyl-N-octyl-carbamate

Systemtic Name: methyl N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]amino]sulfanyl-N-octyl-carbamate Openeye Name: methyl N-[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-anilino]sulfanyl-N-octyl-carbamate CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroanilino]thio]-N-octylcarbamic acid methyl ester IUPAC Name: methyl N-[4-(5-bromopyrimidin-2-yl)oxy-3-chloroanilino]sulfanyl-N-octylcarbamate Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-anilino]thio]-N-octyl-carbamic acid methyl ester Formula: C20H26BrClN4O3S MolecularWeight: 517.86744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)OC)SNC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)Cl

Isomeric SMILES

CCCCCCCCN(C(=O)OC)SNC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)Cl

InChI

InChI=1S/C20H26BrClN4O3S/c1-3-4-5-6-7-8-11-26(20(27)28-2)30-25-16-9-10-18(17(22)12-16)29-19-23-13-15(21)14-24-19/h9-10,12-14,25H,3-8,11H2,1-2H3