N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]amine Formula: C21H25FN5S+ MolecularWeight: 398.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=NNC3=NC4=CC=CC=C4S3)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC3=NC4=CC=CC=C4S3)/C)F

InChI

InChI=1S/C21H24FN5S/c1-3-26-10-12-27(13-11-26)19-9-8-16(14-17(19)22)15(2)24-25-21-23-18-6-4-5-7-20(18)28-21/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)/p+1/b24-15-