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

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[2-[oxo(propylamino)methyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25N3O3S/c1-3-12-23-22(28)18-6-4-5-7-19(18)24-21(27)15-13-20(26)25(14-15)16-8-10-17(29-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)