ethyl 1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-phenethyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(2-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-phenethyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-phenethyloxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-2-29-23(28)19-12-15-26(16-13-19)24(31)25-22(27)20-10-6-7-11-21(20)30-17-14-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,25,27,31)