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

Systemtic Name: 3-bromanyl-4-butoxy-N-(furan-2-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-butoxy-N-(2-furylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-furanylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(furan-2-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(2-furfurylthiocarbamoyl)benzamide Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-2-3-8-23-15-7-6-12(10-14(15)18)16(21)20-17(24)19-11-13-5-4-9-22-13/h4-7,9-10H,2-3,8,11H2,1H3,(H2,19,20,21,24)