ethyl 1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-phenylacryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-2-23-17(22)15-10-12-20(13-11-15)18(24)19-16(21)9-8-14-6-4-3-5-7-14/h3-9,15H,2,10-13H2,1H3,(H,19,21,24)/b9-8+