ethyl 1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-isopropylbenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-propan-2-ylbenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(cumoylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S/c1-4-24-18(23)16-9-11-21(12-10-16)19(25)20-17(22)15-7-5-14(6-8-15)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,22,25)