1-(3-dodecoxypropyl)-3-[[3-(3-methylphenyl)peroxysulfanyl-1,2,4-oxadiazol-5-yl]amino]urea

Systemtic Name: 1-(3-dodecoxypropyl)-3-[[3-(3-methylphenyl)peroxysulfanyl-1,2,4-oxadiazol-5-yl]amino]urea Openeye Name: 1-(3-dodecoxypropyl)-3-[[3-(m-tolylperoxysulfanyl)-1,2,4-oxadiazol-5-yl]amino]urea CAS Name: 5-[[(3-dodecoxypropylamino)-oxomethyl]hydrazo]-1,2,4-oxadiazole-3-sulfenic acid (3-methylphenoxy) ester IUPAC Name: 1-(3-dodecoxypropyl)-3-[[3-(3-methylphenyl)peroxysulfanyl-1,2,4-oxadiazol-5-yl]amino]urea Traditional Name: 1-(3-lauryloxypropyl)-3-[[3-(m-tolylperoxythio)-1,2,4-oxadiazol-5-yl]amino]urea Formula: C25H41N5O5S MolecularWeight: 523.68854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NO1)SOOC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NO1)SOOC2=CC=CC(=C2)C

InChI

InChI=1S/C25H41N5O5S/c1-3-4-5-6-7-8-9-10-11-12-18-32-19-14-17-26-23(31)28-29-24-27-25(30-33-24)36-35-34-22-16-13-15-21(2)20-22/h13,15-16,20H,3-12,14,17-19H2,1-2H3,(H2,26,28,31)(H,27,29,30)