N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-fluorophenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-[(4-fluorophenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-fluorophenoxy)methyl]thiazole-4-carboxamide Formula: C24H28FN4O2S+ MolecularWeight: 455.568123

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CSC(=N3)COC4=CC=C(C=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CSC(=N3)COC4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H27FN4O2S/c1-3-28-10-12-29(13-11-28)19-6-9-21(17(2)14-19)27-24(30)22-16-32-23(26-22)15-31-20-7-4-18(25)5-8-20/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,27,30)/p+1