ethyl 1-[(4-methoxyphenyl)carbonylcarbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-methoxyphenyl)carbonylcarbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-methoxybenzoyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxybenzoyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-(p-anisoylthiocarbamoyl)nipecotic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-3-23-16(21)13-5-4-10-19(11-13)17(24)18-15(20)12-6-8-14(22-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,24)