N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-bromophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H23BrN4O2S/c1-30-11-10-18(21-24-16-7-3-4-8-17(16)25-21)26-22(29)14-12-20(28)27(13-14)19-9-5-2-6-15(19)23/h2-9,14,18H,10-13H2,1H3,(H,24,25)(H,26,29)/t14?,18-/m0/s1