2-iodanyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H25IN4O2S MolecularWeight: 536.42897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C22H25IN4O2S/c1-15(2)21(29)27-13-11-26(12-14-27)19-10-6-5-9-18(19)24-22(30)25-20(28)16-7-3-4-8-17(16)23/h3-10,15H,11-14H2,1-2H3,(H2,24,25,28,30)