(3R)-N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-(1H-benzimidazol-2-ylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(1H-benzimidazol-2-ylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H17N3O3S/c26-21(20-13-27-18-7-3-4-8-19(18)28-20)23-14-9-11-15(12-10-14)29-22-24-16-5-1-2-6-17(16)25-22/h1-12,20H,13H2,(H,23,26)(H,24,25)/t20-/m1/s1