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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H21BrClFN4O2S MolecularWeight: 575.880243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H21BrClFN4O2S/c26-16-5-10-21(27)20(15-16)23(33)30-25(35)29-17-6-8-18(9-7-17)31-11-13-32(14-12-31)24(34)19-3-1-2-4-22(19)28/h1-10,15H,11-14H2,(H2,29,30,33,35)