ethyl 1-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-bromophenyl)-2-thioxo-imidazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-bromophenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-bromophenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-bromophenyl)-2-thioxo-4-imidazolin-1-yl]methyl]isonipecotic acid ethyl ester Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-2-24-17(23)14-7-9-20(10-8-14)13-21-11-12-22(18(21)25)16-5-3-15(19)4-6-16/h3-6,11-12,14H,2,7-10,13H2,1H3