(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-hydroxyphenyl)methyl]-N-propan-2-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-hydroxyphenyl)methyl]-N-propan-2-yl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-hydroxyphenyl)methyl]-N-isopropyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-[(4-hydroxyphenyl)methyl]-N-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[(4-hydroxyphenyl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(4-hydroxybenzyl)-N-isopropyl-pyrrolidine-2-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-14(2)23-21(28)20-11-17(13-26(20)12-15-7-9-16(27)10-8-15)29-22-24-18-5-3-4-6-19(18)25-22/h3-10,14,17,20,27H,11-13H2,1-2H3,(H,23,28)(H,24,25)/t17-,20+/m1/s1