5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-5-19(26)23-16-7-6-8-17(13(16)4)24-21(29)25-20(27)15-11-14(22)9-10-18(15)28-12(2)3/h6-12H,5H2,1-4H3,(H,23,26)(H2,24,25,27,29)