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

Systemtic Name: ethyl 1-[(4-heptoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-heptoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-heptoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-heptoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C23H34N2O4S/c1-3-5-6-7-8-17-29-20-11-9-18(10-12-20)21(26)24-23(30)25-15-13-19(14-16-25)22(27)28-4-2/h9-12,19H,3-8,13-17H2,1-2H3,(H,24,26,30)