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

Systemtic Name: phenyl 3-[2-(4-imidazol-1-ylbutanoylamino)-1,3-thiazol-4-yl]-2,2-dimethyl-heptaneperoxoate Openeye Name: phenyl 3-[2-(4-imidazol-1-ylbutanoylamino)thiazol-4-yl]-2,2-dimethyl-heptaneperoxoate CAS Name: 3-[2-[[4-(1-imidazolyl)-1-oxobutyl]amino]-4-thiazolyl]-2,2-dimethylheptaneperoxoic acid phenyl ester IUPAC Name: phenyl 3-[2-(4-imidazol-1-ylbutanoylamino)-1,3-thiazol-4-yl]-2,2-dimethylheptaneperoxoate Traditional Name: 3-[2-(4-imidazol-1-ylbutanoylamino)thiazol-4-yl]-2,2-dimethyl-peroxyenanthic acid phenyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CSC(=N1)NC(=O)CCCN2C=CN=C2)C(C)(C)C(=O)OOC3=CC=CC=C3

Isomeric SMILES

CCCCC(C1=CSC(=N1)NC(=O)CCCN2C=CN=C2)C(C)(C)C(=O)OOC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4S/c1-4-5-12-20(25(2,3)23(31)33-32-19-10-7-6-8-11-19)21-17-34-24(27-21)28-22(30)13-9-15-29-16-14-26-18-29/h6-8,10-11,14,16-18,20H,4-5,9,12-13,15H2,1-3H3,(H,27,28,30)