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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H21BrCl2N4O2S MolecularWeight: 544.29204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrCl2N4O2S/c1-2-19(29)28-9-7-27(8-10-28)18-6-4-14(23)12-17(18)25-21(31)26-20(30)15-11-13(22)3-5-16(15)24/h3-6,11-12H,2,7-10H2,1H3,(H2,25,26,30,31)