2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-propionylpiperazino)phenyl]acetamide Formula: C29H32N5O2S+ MolecularWeight: 514.66168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2S/c1-2-28(36)33-18-16-32(17-19-33)24-14-12-23(13-15-24)30-27(35)21-37-29-31-25-10-6-7-11-26(25)34(29)20-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3,(H,30,35)/p+1