ethyl 1-[(3,5-dimethylphenyl)carbonylcarbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethylphenyl)carbonylcarbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3,5-dimethylbenzoyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethylbenzoyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(3,5-dimethylbenzoyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H24N2O3S/c1-4-23-17(22)14-6-5-7-20(11-14)18(24)19-16(21)15-9-12(2)8-13(3)10-15/h8-10,14H,4-7,11H2,1-3H3,(H,19,21,24)