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

Systemtic Name: [1-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Openeye Name: [1-[4-(4-carbamothioylphenyl)-4-oxo-butanoyl]-4-piperidyl] 3,3-dimethylbutaneperoxoate CAS Name: 3,3-dimethylbutaneperoxoic acid [1-[4-(4-carbamothioylphenyl)-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-carbamothioylphenyl)-4-oxobutanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Traditional Name: 3,3-dimethylperoxybutyric acid [1-[4-keto-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-22(2,3)14-20(27)29-28-17-10-12-24(13-11-17)19(26)9-8-18(25)15-4-6-16(7-5-15)21(23)30/h4-7,17H,8-14H2,1-3H3,(H2,23,30)