3-bromanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-14(2)29-20-10-5-15(12-19(20)23)21(26)25-22(30)24-16-6-8-17(9-7-16)28-13-18-4-3-11-27-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,24,25,26,30)