[(3-bromophenyl)-(diethylcarbamothioylsulfanyl)methyl] 2-bromanylbenzoate

Systemtic Name: [(3-bromophenyl)-(diethylcarbamothioylsulfanyl)methyl] 2-bromanylbenzoate Openeye Name: [(3-bromophenyl)-(diethylcarbamothioylsulfanyl)methyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(3-bromophenyl)-[[diethylamino(sulfanylidene)methyl]thio]methyl] ester IUPAC Name: [(3-bromophenyl)-(diethylcarbamothioylsulfanyl)methyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(3-bromophenyl)-(diethylthiocarbamoylthio)methyl] ester Formula: C19H19Br2NO2S2 MolecularWeight: 517.29766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C1=CC(=CC=C1)Br)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCN(CC)C(=S)SC(C1=CC(=CC=C1)Br)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H19Br2NO2S2/c1-3-22(4-2)19(25)26-18(13-8-7-9-14(20)12-13)24-17(23)15-10-5-6-11-16(15)21/h5-12,18H,3-4H2,1-2H3