ethyl 1-[(3-ethoxycarbonylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-ethoxycarbonylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonylphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(3-carbethoxyphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H24N2O4S/c1-3-23-16(21)13-7-5-9-15(11-13)19-18(25)20-10-6-8-14(12-20)17(22)24-4-2/h5,7,9,11,14H,3-4,6,8,10,12H2,1-2H3,(H,19,25)