3-pyridin-3-ylpropyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: 1-[(1-adamantylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: 1-(1-adamantylthiocarbamoyl)pyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCCCC5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCCCC5=CN=CC=C5

InChI

InChI=1S/C24H33N3O2S/c28-22(29-9-3-5-17-4-1-7-25-16-17)21-6-2-8-27(21)23(30)26-24-13-18-10-19(14-24)12-20(11-18)15-24/h1,4,7,16,18-21H,2-3,5-6,8-15H2,(H,26,30)