ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-3-27-19(26)15-8-11-23(12-9-15)18(25)14(2)28-20-22-10-13-24(20)17-6-4-16(21)5-7-17/h4-7,10,13-15H,3,8-9,11-12H2,1-2H3