1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]isonipecotate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C19H23N3O3S/c1-13-3-4-16(14(2)11-13)22-10-7-20-19(22)26-12-17(23)21-8-5-15(6-9-21)18(24)25/h3-4,7,10-11,15H,5-6,8-9,12H2,1-2H3,(H,24,25)/p-1