ethyl 1-(4-phenylphenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-phenylphenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-phenylbenzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(4-phenylphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-phenylbenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(4-phenylthiobenzoyl)isonipecotic acid ethyl ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-2-24-21(23)19-12-14-22(15-13-19)20(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3