(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethyl-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N,N-dimethyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N,N-dimethyl-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N,N-dimethylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-benzyl-N,N-dimethyl-pyrrolidine-2-carboxamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](CN1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4OS/c1-24(2)20(26)19-12-16(14-25(19)13-15-8-4-3-5-9-15)27-21-22-17-10-6-7-11-18(17)23-21/h3-11,16,19H,12-14H2,1-2H3,(H,22,23)/t16-,19+/m1/s1