ethyl 1-[(2,4,5-trimethylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2,4,5-trimethylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2,4,5-trimethylphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[sulfanylidene-(2,4,5-trimethylanilino)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,4,5-trimethylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(2,4,5-trimethylphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C18H26N2O2S/c1-5-22-17(21)15-7-6-8-20(11-15)18(23)19-16-10-13(3)12(2)9-14(16)4/h9-10,15H,5-8,11H2,1-4H3,(H,19,23)