2-(1-adamantylsulfanyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[4-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N2O2S/c27-22(16-29-24-12-18-9-19(13-24)11-20(10-18)14-24)25-15-17-3-5-21(6-4-17)23(28)26-7-1-2-8-26/h3-6,18-20H,1-2,7-16H2,(H,25,27)