ethyl (3S)-1-[(4-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-ethoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(p-phenetylthiocarbamoyl)nipecotic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C17H24N2O3S/c1-3-21-15-9-7-14(8-10-15)18-17(23)19-11-5-6-13(12-19)16(20)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,23)/t13-/m0/s1