ethyl 1-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-isopentyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(3-methylbutoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-isoamoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C21H30N2O4S/c1-4-26-20(25)16-9-12-23(13-10-16)21(28)22-19(24)17-7-5-6-8-18(17)27-14-11-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,22,24,28)