[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] butaneperoxoate

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] butaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] butaneperoxoate CAS Name: butaneperoxoic acid [1-[4-(4-carbamothioylphenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl] butaneperoxoate Traditional Name: peroxybutyric acid [1-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1CCN(CC1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCCC(=O)OOC1CCN(CC1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C21H28N2O5S/c1-3-4-19(25)28-27-17-9-11-23(12-10-17)21(26)14(2)13-18(24)15-5-7-16(8-6-15)20(22)29/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,22,29)