N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxamide Formula: C25H30FN4O2S+ MolecularWeight: 469.594703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=C(S3)COC4=CC=C(C=C4)F)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=C(S3)COC4=CC=C(C=C4)F)C)C

InChI

InChI=1S/C25H29FN4O2S/c1-4-29-11-13-30(14-12-29)22-10-7-20(15-17(22)2)28-25(31)24-18(3)27-23(33-24)16-32-21-8-5-19(26)6-9-21/h5-10,15H,4,11-14,16H2,1-3H3,(H,28,31)/p+1