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

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] ethaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] peroxyacetate CAS Name: ethaneperoxoic 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] ethaneperoxoate Traditional Name: peracetic acid [1-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)N2CCC(CC2)OOC(=O)C

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)N2CCC(CC2)OOC(=O)C

InChI

InChI=1S/C19H24N2O5S/c1-12(11-17(23)14-3-5-15(6-4-14)18(20)27)19(24)21-9-7-16(8-10-21)26-25-13(2)22/h3-6,12,16H,7-11H2,1-2H3,(H2,20,27)