tert-butyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: 1-[(1-adamantylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: 1-(1-adamantylthiocarbamoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H32N2O2S MolecularWeight: 364.54528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H32N2O2S/c1-19(2,3)24-17(23)16-5-4-6-22(16)18(25)21-20-10-13-7-14(11-20)9-15(8-13)12-20/h13-16H,4-12H2,1-3H3,(H,21,25)