3-bromanyl-4-(2-methylpropoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-19(26)23-15-6-5-7-16(11-15)24-21(29)25-20(27)14-8-9-18(17(22)10-14)28-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,26)(H2,24,25,27,29)