S-(3-phenylpropyl) 1-(1-adamantylcarbamoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(1-adamantylcarbamoyl)pyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-(1-adamantylcarbamoyl)pyrrolidine-2-carbothioate CAS Name: 1-[(1-adamantylamino)-oxomethyl]-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-(1-adamantylcarbamoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(1-adamantylcarbamoyl)pyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)SCCCC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)SCCCC5=CC=CC=C5

InChI

InChI=1S/C25H34N2O2S/c28-23(30-11-5-8-18-6-2-1-3-7-18)22-9-4-10-27(22)24(29)26-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-3,6-7,19-22H,4-5,8-17H2,(H,26,29)