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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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