N-(1-adamantyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1-adamantyl)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1-adamantyl)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1-adamantyl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2O2S/c1-27-19-4-2-18(3-5-19)24-13-17(9-20(24)25)21(26)23-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,14-17H,6-13H2,1H3,(H,23,26)