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

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H25N3O3S/c1-12(2)17(23)19-8-9-20-18(24)13-10-16(22)21(11-13)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)(H,20,24)