1-[3-(3,5-dimethylphenoxy)propyl]-3-[(4-methyl-5-methylsulfanylperoxy-2-methylsulfonyl-phenyl)amino]urea

Systemtic Name: 1-[3-(3,5-dimethylphenoxy)propyl]-3-[(4-methyl-5-methylsulfanylperoxy-2-methylsulfonyl-phenyl)amino]urea Openeye Name: 1-[3-(3,5-dimethylphenoxy)propyl]-3-(4-methyl-5-methylsulfanylperoxy-2-methylsulfonyl-anilino)urea CAS Name: methanesulfenic acid [5-[[[3-(3,5-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-2-methyl-4-methylsulfonylphenoxy] ester IUPAC Name: 1-[3-(3,5-dimethylphenoxy)propyl]-3-(4-methyl-5-methylsulfanylperoxy-2-methylsulfonylanilino)urea Traditional Name: 1-[3-(3,5-dimethylphenoxy)propyl]-3-[2-mesyl-4-methyl-5-(methylthio)peroxy-anilino]urea Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)OOSC)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)OOSC)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H29N3O6S2/c1-14-9-15(2)11-17(10-14)28-8-6-7-22-21(25)24-23-18-13-19(29-30-31-4)16(3)12-20(18)32(5,26)27/h9-13,23H,6-8H2,1-5H3,(H2,22,24,25)