4-fluoranyl-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-fluoro-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-fluoro-N-[2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-fluoro-N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-fluoro-N-[2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H22FN4O2S2+ MolecularWeight: 445.553383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2S2/c1-25-8-10-26(11-9-25)19(27)13-29-21-24-17-7-6-16(12-18(17)30-21)23-20(28)14-2-4-15(22)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,23,28)/p+1