ethyl 1-[(2-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(2-ethoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-(o-phenetylthiocarbamoyl)nipecotic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C17H24N2O3S/c1-3-21-15-10-6-5-9-14(15)18-17(23)19-11-7-8-13(12-19)16(20)22-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,18,23)