5-bromanyl-2-ethoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

InChI

InChI=1S/C21H23BrN2O4S/c1-2-26-19-9-8-14(22)11-18(19)20(25)24-21(29)23-15-5-3-6-16(12-15)28-13-17-7-4-10-27-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3,(H2,23,24,25,29)