N-[2-(dimethylamino)-2-phenyl-ethyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-phenylethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-24(2)20(16-7-5-4-6-8-16)14-23-22(27)17-13-21(26)25(15-17)18-9-11-19(28-3)12-10-18/h4-12,17,20H,13-15H2,1-3H3,(H,23,27)