methyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(p-phenetylthiocarbamoyl)isonipecotic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-3-21-14-6-4-13(5-7-14)17-16(22)18-10-8-12(9-11-18)15(19)20-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)