ethyl 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(3-phthalimidopropanoylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H23N3O5S/c1-2-28-19(27)13-7-10-22(11-8-13)20(29)21-16(24)9-12-23-17(25)14-5-3-4-6-15(14)18(23)26/h3-6,13H,2,7-12H2,1H3,(H,21,24,29)