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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H18N4O3S/c27-21(24-13-20-25-16-5-1-2-6-17(16)26-20)15-4-3-9-23-22(15)30-14-7-8-18-19(12-14)29-11-10-28-18/h1-9,12H,10-11,13H2,(H,24,27)(H,25,26)