N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C25H32N5OS+ MolecularWeight: 450.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4C)C

InChI

InChI=1S/C25H31N5OS/c1-4-28-13-15-29(16-14-28)21-9-10-22(20(3)17-21)27-24(31)18-32-25-26-11-12-30(25)23-8-6-5-7-19(23)2/h5-12,17H,4,13-16,18H2,1-3H3,(H,27,31)/p+1