3-bromanyl-N-(furan-2-ylmethylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(furan-2-ylmethylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(2-furylmethylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(2-furfurylthiocarbamoyl)-4-hexoxy-benzamide Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-2-3-4-5-10-25-17-9-8-14(12-16(17)20)18(23)22-19(26)21-13-15-7-6-11-24-15/h6-9,11-12H,2-5,10,13H2,1H3,(H2,21,22,23,26)