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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-15(2)22(28)25-18-6-4-5-16(11-18)13-24-23(29)17-12-21(27)26(14-17)19-7-9-20(30-3)10-8-19/h4-11,15,17H,12-14H2,1-3H3,(H,24,29)(H,25,28)