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

Systemtic Name: ethyl 1-[(2-pentoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-pentoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-pentoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-amoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C21H30N2O4S/c1-3-5-8-15-27-18-10-7-6-9-17(18)19(24)22-21(28)23-13-11-16(12-14-23)20(25)26-4-2/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3,(H,22,24,28)