ethyl 1-[4-(diethylamino)phenyl]carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(diethylamino)phenyl]carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(diethylamino)benzenecarbothioyl]piperidine-4-carboxylate CAS Name: 1-[[4-(diethylamino)phenyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(diethylamino)benzenecarbothioyl]piperidine-4-carboxylate Traditional Name: 1-[4-(diethylamino)thiobenzoyl]isonipecotic acid ethyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H28N2O2S/c1-4-20(5-2)17-9-7-15(8-10-17)18(24)21-13-11-16(12-14-21)19(22)23-6-3/h7-10,16H,4-6,11-14H2,1-3H3