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

Systemtic Name: 2-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C18H18BrN3O2S/c1-3-16(23)20-14-9-6-10-15(11(14)2)21-18(25)22-17(24)12-7-4-5-8-13(12)19/h4-10H,3H2,1-2H3,(H,20,23)(H2,21,22,24,25)