[(2S)-1-(5-bromanyl-4-methyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] piperidine-1-carbodithioate

Systemtic Name: [(2S)-1-(5-bromanyl-4-methyl-2-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl] piperidine-1-carbodithioate Openeye Name: [(1S)-2-(5-bromo-2-hydroxy-4-methyl-phenyl)-1-methyl-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [(2S)-1-(5-bromo-2-hydroxy-4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-bromo-2-hydroxy-4-methylphenyl)-1-oxopropan-2-yl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [(1S)-2-(5-bromo-2-hydroxy-4-methyl-phenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO2S2 MolecularWeight: 402.3695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)C(C)SC(=S)N2CCCCC2)Br

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[C@H](C)SC(=S)N2CCCCC2)Br

InChI

InChI=1S/C16H20BrNO2S2/c1-10-8-14(19)12(9-13(10)17)15(20)11(2)22-16(21)18-6-4-3-5-7-18/h8-9,11,19H,3-7H2,1-2H3/t11-/m0/s1