3,5-bis(bromanyl)-2-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C20H22Br2N4O2S MolecularWeight: 542.28728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C20H22Br2N4O2S/c1-25-7-9-26(10-8-25)17-6-4-3-5-16(17)23-20(29)24-19(27)14-11-13(21)12-15(22)18(14)28-2/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,27,29)