N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC

InChI

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