ethyl 1-[(1,3-dimethylpyrazol-4-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(1,3-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CN(N=C2C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CN(N=C2C)C

InChI

InChI=1S/C14H22N4O2S/c1-4-20-13(19)11-5-7-18(8-6-11)14(21)15-12-9-17(3)16-10(12)2/h9,11H,4-8H2,1-3H3,(H,15,21)