N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]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(=C(N3)C)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=C(N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5OS/c1-3-29-13-15-30(16-14-29)22-11-9-21(10-12-22)27-24(31)18-32-25-26-19(2)23(28-25)17-20-7-5-4-6-8-20/h4-12H,3,13-18H2,1-2H3,(H,26,28)(H,27,31)/p+1