ethyl (3S)-1-[[3-(3-chlorophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-2-thioxo-imidazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(3-chlorophenyl)-2-sulfanylidene-1-imidazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[3-(3-chlorophenyl)-2-thioxo-4-imidazolin-1-yl]methyl]nipecotic acid ethyl ester Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C=CN(C2=S)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C=CN(C2=S)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-2-24-17(23)14-5-4-8-20(12-14)13-21-9-10-22(18(21)25)16-7-3-6-15(19)11-16/h3,6-7,9-11,14H,2,4-5,8,12-13H2,1H3/t14-/m0/s1