1-[(3-methylperoxysulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-octyldodecyl)urea

Systemtic Name: 1-[(3-methylperoxysulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-octyldodecyl)urea Openeye Name: 1-[(3-methylperoxysulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-octyldodecyl)urea CAS Name: 5-[[(2-octyldodecylamino)-oxomethyl]hydrazo]-1,2,4-thiadiazole-3-sulfenic acid methoxy ester IUPAC Name: 1-[(3-methylperoxysulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-octyldodecyl)urea Traditional Name: 1-[[3-(methylperoxythio)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea Formula: C24H47N5O3S2 MolecularWeight: 517.79168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)SOOC

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)SOOC

InChI

InChI=1S/C24H47N5O3S2/c1-4-6-8-10-12-13-15-17-19-21(18-16-14-11-9-7-5-2)20-25-22(30)27-28-23-26-24(29-33-23)34-32-31-3/h21H,4-20H2,1-3H3,(H2,25,27,30)(H,26,28,29)