ethyl 1-[(4-hexoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-hexoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-hexoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hexoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-hexoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C22H32N2O4S/c1-3-5-6-7-16-28-19-10-8-17(9-11-19)20(25)23-22(29)24-14-12-18(13-15-24)21(26)27-4-2/h8-11,18H,3-7,12-16H2,1-2H3,(H,23,25,29)