N-[(3-acetamidophenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[(3-acetamidophenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[(3-acetamidophenyl)methyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(3-acetamidobenzyl)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14(25)23-17-5-3-4-15(10-17)12-22-21(27)16-11-20(26)24(13-16)18-6-8-19(28-2)9-7-18/h3-10,16H,11-13H2,1-2H3,(H,22,27)(H,23,25)