5-bromanyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-2-propoxy-N-[[2-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-2-propoxy-N-[[2-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

InChI

InChI=1S/C22H25BrN2O4S/c1-2-11-28-19-10-9-15(23)13-17(19)21(26)25-22(30)24-18-7-3-4-8-20(18)29-14-16-6-5-12-27-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H2,24,25,26,30)