N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H22N4O5S/c1-32-20-12-17(13-21-22(20)34-11-10-33-21)24(31)29-28-23(30)16-8-6-15(7-9-16)14-35-25-26-18-4-2-3-5-19(18)27-25/h2-9,12-13H,10-11,14H2,1H3,(H,26,27)(H,28,30)(H,29,31)