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

Systemtic Name: ethyl 1-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-isopentyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-methylbutoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-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=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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