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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(tetrahydrofuran-2-ylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(tetrahydrofurfurylthiocarbamoyl)benzamide Formula: C19H27BrN2O3S MolecularWeight: 443.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)Br

InChI

InChI=1S/C19H27BrN2O3S/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/h8-9,12,15H,2-7,10-11,13H2,1H3,(H2,21,22,23,26)