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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25N3O3S/c1-4-20(26)23-16-6-5-14(2)19(12-16)24-22(28)15-11-21(27)25(13-15)17-7-9-18(29-3)10-8-17/h5-10,12,15H,4,11,13H2,1-3H3,(H,23,26)(H,24,28)