N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H16N4O3S/c26-19(25-21-23-15-5-1-2-6-16(15)24-21)14-4-3-9-22-20(14)29-13-7-8-17-18(12-13)28-11-10-27-17/h1-9,12H,10-11H2,(H2,23,24,25,26)