3-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-2-4-20(28)27-13-11-26(12-14-27)19-9-7-18(8-10-19)24-22(30)25-21(29)16-5-3-6-17(23)15-16/h3,5-10,15H,2,4,11-14H2,1H3,(H2,24,25,29,30)