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

Systemtic Name: ethyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3,4-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3,4-dimethylphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H24N2O2S/c1-4-21-16(20)14-7-9-19(10-8-14)17(22)18-15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,22)