3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethoxy-benzamide Openeye Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethoxy-benzamide CAS Name: 3-bromo-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethoxybenzamide Traditional Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-4-ethoxy-benzamide Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-2-23-14-5-3-11(9-13(14)19)17(22)21-18(26)20-12-4-6-15-16(10-12)25-8-7-24-15/h3-6,9-10H,2,7-8H2,1H3,(H2,20,21,22,26)