N'-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: N'-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: N'-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: N'-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: N'-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H17BrN2O4S/c1-11-8-12(19)6-7-16(11)26-10-17(22)20-21-18(23)15-9-24-13-4-2-3-5-14(13)25-15/h2-8,15H,9-10H2,1H3,(H,20,22)(H,21,23)