methyl 1-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-(2,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(2,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]isonipecotic acid methyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C19H25N3O2S/c1-14-4-5-17(15(2)12-14)22-11-10-21(19(22)25)13-20-8-6-16(7-9-20)18(23)24-3/h4-5,10-12,16H,6-9,13H2,1-3H3