2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C24H29N5O2S/c1-17(2)23(31)29-14-12-28(13-15-29)19-10-8-18(9-11-19)25-22(30)16-32-24-26-20-6-4-5-7-21(20)27(24)3/h4-11,17H,12-16H2,1-3H3,(H,25,30)/p+1