2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Formula: C23H17BrN2O4S MolecularWeight: 497.36108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H17BrN2O4S/c24-16-11-20-21(29-10-9-28-20)12-18(16)25-22(27)15-6-2-1-5-14(15)13-31-23-26-17-7-3-4-8-19(17)30-23/h1-8,11-12H,9-10,13H2,(H,25,27)