[1-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] ethaneperoxoate

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] ethaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-4-oxo-butanoyl]-4-piperidyl] peroxyacetate CAS Name: ethaneperoxoic acid [1-[4-(4-carbamothioylphenyl)-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-carbamothioylphenyl)-4-oxobutanoyl]piperidin-4-yl] ethaneperoxoate Traditional Name: peracetic acid [1-[4-keto-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-12(21)24-25-15-8-10-20(11-9-15)17(23)7-6-16(22)13-2-4-14(5-3-13)18(19)26/h2-5,15H,6-11H2,1H3,(H2,19,26)