(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(phenylmethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(phenylmethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(phenylmethyl)-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-benzyl-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1[C@H](CN([C@@H]1C(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H25N5OS/c31-24(27-15-19-9-6-12-26-14-19)23-13-20(17-30(23)16-18-7-2-1-3-8-18)32-25-28-21-10-4-5-11-22(21)29-25/h1-12,14,20,23H,13,15-17H2,(H,27,31)(H,28,29)/t20-,23+/m1/s1