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

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] propaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] propaneperoxoate CAS Name: propaneperoxoic 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] propaneperoxoate Traditional Name: peroxypropionic acid [1-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-3-18(24)27-26-16-8-10-22(11-9-16)20(25)13(2)12-17(23)14-4-6-15(7-5-14)19(21)28/h4-7,13,16H,3,8-12H2,1-2H3,(H2,21,28)