2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[[1-(2,3-dimethylphenyl)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=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/c1-4-28-14-16-29(17-15-28)22-10-8-21(9-11-22)27-24(31)18-32-25-26-12-13-30(25)23-7-5-6-19(2)20(23)3/h5-13H,4,14-18H2,1-3H3,(H,27,31)/p+1