[2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-methylpiperidine-1-carbodithioate

Systemtic Name: [2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-methylpiperidine-1-carbodithioate Openeye Name: [2-(3-bromo-2-hydroxy-5-methyl-phenyl)-2-oxo-ethyl] 3-methylpiperidine-1-carbodithioate CAS Name: 3-methyl-1-piperidinecarbodithioic acid [2-(3-bromo-2-hydroxy-5-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-2-hydroxy-5-methylphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate Traditional Name: 3-methylpiperidine-1-carbodithioic acid [2-(3-bromo-2-hydroxy-5-methyl-phenyl)-2-keto-ethyl] ester Formula: C16H20BrNO2S2 MolecularWeight: 402.3695

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)SCC(=O)C2=CC(=CC(=C2O)Br)C

Isomeric SMILES

CC1CCCN(C1)C(=S)SCC(=O)C2=CC(=CC(=C2O)Br)C

InChI

InChI=1S/C16H20BrNO2S2/c1-10-4-3-5-18(8-10)16(21)22-9-14(19)12-6-11(2)7-13(17)15(12)20/h6-7,10,20H,3-5,8-9H2,1-2H3