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

Systemtic Name: 3-pyridin-3-ylpropyl 1-(2-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-(2-adamantylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: 1-[(2-adamantylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-(2-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-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)NC2C3CC4CC(C3)CC2C4)C(=O)OCCCC5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OCCCC5=CN=CC=C5

InChI

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