3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(p-tolylthio)acetyl]amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS2+ MolecularWeight: 418.571103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS2/c1-15-5-8-17(9-6-15)27-14-20(26)25(12-4-11-24(2)3)21-23-18-10-7-16(22)13-19(18)28-21/h5-10,13H,4,11-12,14H2,1-3H3/p+1