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

Systemtic Name: ethyl 1-[(3-phenethyloxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-phenethyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-phenethyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-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=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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