phenyl 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-2,2-dimethyl-heptaneperoxoate

Systemtic Name: phenyl 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-2,2-dimethyl-heptaneperoxoate Openeye Name: phenyl 3-[2-(cyclohexylcarbamoylamino)thiazol-4-yl]-2,2-dimethyl-heptaneperoxoate CAS Name: 3-[2-[[(cyclohexylamino)-oxomethyl]amino]-4-thiazolyl]-2,2-dimethylheptaneperoxoic acid phenyl ester IUPAC Name: phenyl 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-2,2-dimethylheptaneperoxoate Traditional Name: 3-[2-(cyclohexylcarbamoylamino)thiazol-4-yl]-2,2-dimethyl-peroxyenanthic acid phenyl ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CSC(=N1)NC(=O)NC2CCCCC2)C(C)(C)C(=O)OOC3=CC=CC=C3

Isomeric SMILES

CCCCC(C1=CSC(=N1)NC(=O)NC2CCCCC2)C(C)(C)C(=O)OOC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O4S/c1-4-5-16-20(25(2,3)22(29)32-31-19-14-10-7-11-15-19)21-17-33-24(27-21)28-23(30)26-18-12-8-6-9-13-18/h7,10-11,14-15,17-18,20H,4-6,8-9,12-13,16H2,1-3H3,(H2,26,27,28,30)