ethyl 1-(1-adamantylcarbonylcarbamothioyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1-adamantylcarbonylcarbamothioyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(adamantane-1-carbonylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(adamantane-1-carbonylcarbamothioyl)piperidine-3-carboxylate Traditional Name: 1-(adamantane-1-carbonylthiocarbamoyl)nipecotic acid ethyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H30N2O3S/c1-2-25-17(23)16-4-3-5-22(12-16)19(26)21-18(24)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16H,2-12H2,1H3,(H,21,24,26)