ethyl 1-(2,3-dihydro-1H-inden-2-ylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1H-inden-2-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(indan-2-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1H-inden-2-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(indan-2-ylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2CC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H24N2O2S/c1-2-22-17(21)13-7-9-20(10-8-13)18(23)19-16-11-14-5-3-4-6-15(14)12-16/h3-6,13,16H,2,7-12H2,1H3,(H,19,23)