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

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[1-(4-propionamidophenyl)ethyl]pyrrolidine-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-4-21(27)25-18-7-5-16(6-8-18)15(2)24-23(29)17-13-22(28)26(14-17)19-9-11-20(30-3)12-10-19/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,29)(H,25,27)