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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O2S/c1-2-3-20(28)27-14-12-26(13-15-27)19-10-8-18(9-11-19)24-22(30)25-21(29)16-4-6-17(23)7-5-16/h4-11H,2-3,12-15H2,1H3,(H2,24,25,29,30)