phenethyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: phenethyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: phenethyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(1-adamantylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl (2S)-1-(1-adamantylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1-adamantylthiocarbamoyl)pyrrolidine-2-carboxylic acid phenethyl ester Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C24H32N2O2S/c27-22(28-10-8-17-5-2-1-3-6-17)21-7-4-9-26(21)23(29)25-24-14-18-11-19(15-24)13-20(12-18)16-24/h1-3,5-6,18-21H,4,7-16H2,(H,25,29)/t18?,19?,20?,21-,24?/m0/s1