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

Systemtic Name: 5-bromanyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H24BrFN4O3S MolecularWeight: 571.461163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H24BrFN4O3S/c1-35-23-11-6-17(27)16-21(23)24(33)30-26(36)29-18-7-9-19(10-8-18)31-12-14-32(15-13-31)25(34)20-4-2-3-5-22(20)28/h2-11,16H,12-15H2,1H3,(H2,29,30,33,36)