5-bromanyl-2-chloranyl-N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H25BrCl2N4O2S MolecularWeight: 572.3452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrCl2N4O2S/c1-14(2)11-21(31)30-9-7-29(8-10-30)20-6-4-16(25)13-19(20)27-23(33)28-22(32)17-12-15(24)3-5-18(17)26/h3-6,12-14H,7-11H2,1-2H3,(H2,27,28,32,33)