2,4-bis(bromanyl)-6-[(2R)-2-(diethylcarbamothioylsulfanyl)propanoyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[(2R)-2-(diethylcarbamothioylsulfanyl)propanoyl]phenolate Openeye Name: 2,4-dibromo-6-[(2R)-2-(diethylcarbamothioylsulfanyl)propanoyl]phenolate CAS Name: 2,4-dibromo-6-[(2R)-2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]phenolate IUPAC Name: 2,4-dibromo-6-[(2R)-2-(diethylcarbamothioylsulfanyl)propanoyl]phenolate Traditional Name: 2,4-dibromo-6-[(2R)-2-(diethylthiocarbamoylthio)propanoyl]phenolate Formula: C14H16Br2NO2S2- MolecularWeight: 454.22034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C)C(=O)C1=CC(=CC(=C1[O-])Br)Br

Isomeric SMILES

CCN(CC)C(=S)S[C@H](C)C(=O)C1=CC(=CC(=C1[O-])Br)Br

InChI

InChI=1S/C14H17Br2NO2S2/c1-4-17(5-2)14(20)21-8(3)12(18)10-6-9(15)7-11(16)13(10)19/h6-8,19H,4-5H2,1-3H3/p-1/t8-/m1/s1