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

Systemtic Name: ethyl 1-[(3-ethoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-ethoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C18H24N2O4S/c1-3-23-15-7-5-6-14(12-15)16(21)19-18(25)20-10-8-13(9-11-20)17(22)24-4-2/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,21,25)