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

Systemtic Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-2-26-18(25)14-4-3-10-22(12-14)17(24)13-27-19-21-9-11-23(19)16-7-5-15(20)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3