[4-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]phenyl] butaneperoxoate

Systemtic Name: [4-[4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]phenyl] butaneperoxoate Openeye Name: [4-[4-(4-carbamothioylphenyl)-4-oxo-butanoyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[4-(4-carbamothioylphenyl)-1,4-dioxobutyl]phenyl] ester IUPAC Name: [4-[4-(4-carbamothioylphenyl)-4-oxobutanoyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[4-keto-4-(4-thiocarbamoylphenyl)butanoyl]phenyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C21H21NO5S/c1-2-3-20(25)27-26-17-10-8-15(9-11-17)19(24)13-12-18(23)14-4-6-16(7-5-14)21(22)28/h4-11H,2-3,12-13H2,1H3,(H2,22,28)