4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide Formula: C28H32N5OS+ MolecularWeight: 486.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C28H31N5OS/c1-3-32-14-16-33(17-15-32)23-12-13-24(20(2)18-23)29-27(34)22-10-8-21(9-11-22)19-35-28-30-25-6-4-5-7-26(25)31-28/h4-13,18H,3,14-17,19H2,1-2H3,(H,29,34)(H,30,31)/p+1