[1-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] 3-methylbutaneperoxoate

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] 3-methylbutaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-4-oxo-butanoyl]-4-piperidyl] 3-methylbutaneperoxoate CAS Name: 3-methylbutaneperoxoic acid [1-[4-(4-carbamothioylphenyl)-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-carbamothioylphenyl)-4-oxobutanoyl]piperidin-4-yl] 3-methylbutaneperoxoate Traditional Name: 3-methylperoxybutyric acid [1-[4-keto-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-14(2)13-20(26)28-27-17-9-11-23(12-10-17)19(25)8-7-18(24)15-3-5-16(6-4-15)21(22)29/h3-6,14,17H,7-13H2,1-2H3,(H2,22,29)