ethyl 1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-propoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-propoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-propoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H26N2O4S/c1-3-13-25-16-7-5-14(6-8-16)17(22)20-19(26)21-11-9-15(10-12-21)18(23)24-4-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,22,26)