ethyl 1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbethoxy-5-phenyl-2-thienyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H26N2O4S2/c1-3-27-20(25)16-10-12-24(13-11-16)22(29)23-19-17(21(26)28-4-2)14-18(30-19)15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,23,29)