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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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