3-bromanyl-4-methoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C26H25BrN4O3S MolecularWeight: 553.4707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H25BrN4O3S/c1-34-23-12-11-19(17-20(23)27)24(32)29-26(35)28-21-9-5-6-10-22(21)30-13-15-31(16-14-30)25(33)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,28,29,32,35)