5-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C22H24BrClN4O2S MolecularWeight: 523.87356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrClN4O2S/c1-2-3-20(29)28-12-10-27(11-13-28)17-7-5-16(6-8-17)25-22(31)26-21(30)18-14-15(23)4-9-19(18)24/h4-9,14H,2-3,10-13H2,1H3,(H2,25,26,30,31)