sodium 1-(3-methylphenyl)-3-(2-octoxy-5-oxidanidylperoxysulfanyl-phenyl)urea

Systemtic Name: sodium 1-(3-methylphenyl)-3-(2-octoxy-5-oxidanidylperoxysulfanyl-phenyl)urea Openeye Name: sodium 1-(m-tolyl)-3-(2-octoxy-5-oxidoperoxysulfanyl-phenyl)urea CAS Name: sodium 3-[[(3-methylanilino)-oxomethyl]amino]-4-octoxybenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 1-(3-methylphenyl)-3-(2-octoxy-5-oxidoperoxysulfanylphenyl)urea Traditional Name: sodium 1-(m-tolyl)-3-[2-octoxy-5-(oxidoperoxythio)phenyl]urea Formula: C22H29N2NaO5S MolecularWeight: 456.53083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)SOO[O-])NC(=O)NC2=CC=CC(=C2)C.[Na+]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)SOO[O-])NC(=O)NC2=CC=CC(=C2)C.[Na+]

InChI

InChI=1S/C22H30N2O5S.Na/c1-3-4-5-6-7-8-14-27-21-13-12-19(30-29-28-26)16-20(21)24-22(25)23-18-11-9-10-17(2)15-18;/h9-13,15-16,26H,3-8,14H2,1-2H3,(H2,23,24,25);/q;+1/p-1