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

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N-cyclopropyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-cyclopropyl-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-benzyl-N-cyclopropylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-benzyl-N-cyclopropyl-pyrrolidine-2-carboxamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(CN2CC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@H](CN2CC3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H24N4OS/c27-21(23-16-10-11-16)20-12-17(14-26(20)13-15-6-2-1-3-7-15)28-22-24-18-8-4-5-9-19(18)25-22/h1-9,16-17,20H,10-14H2,(H,23,27)(H,24,25)/t17-,20+/m1/s1