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

Systemtic Name: methyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-25-17(24)13-6-9-21(10-7-13)16(23)12-26-18-20-8-11-22(18)15-4-2-14(19)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3