N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C23H25FN4O2S/c1-14-7-8-20(16(24)11-14)28-13-15(12-21(28)29)23(30)27-19(9-10-31-2)22-25-17-5-3-4-6-18(17)26-22/h3-8,11,15,19H,9-10,12-13H2,1-2H3,(H,25,26)(H,27,30)/t15?,19-/m0/s1