1-(3-methylphenyl)-3-[2-octoxy-5-(trioxidanylsulfanyl)phenyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-octoxy-5-(trioxidanylsulfanyl)phenyl]urea Openeye Name: 1-(m-tolyl)-3-[2-octoxy-5-(trioxidanylsulfanyl)phenyl]urea CAS Name: 3-[[(3-methylanilino)-oxomethyl]amino]-4-octoxybenzenesulfenic acid hydroperoxy ester IUPAC Name: 1-(3-methylphenyl)-3-[2-octoxy-5-(trioxidanylsulfanyl)phenyl]urea Traditional Name: 1-(m-tolyl)-3-[2-octoxy-5-(trioxidanylthio)phenyl]urea Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)SOOO)NC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)SOOO)NC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C22H30N2O5S/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)