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

Systemtic Name: ethyl 1-[(4-phenylphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-phenylbenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-phenylbenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-phenylbenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-2-27-21(26)19-12-14-24(15-13-19)22(28)23-20(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,23,25,28)