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

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-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(C=CC=C3S2)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H24FN3OS2/c1-15-8-10-16(11-9-15)27-14-19(26)25(13-5-12-24(2)3)21-23-20-17(22)6-4-7-18(20)28-21/h4,6-11H,5,12-14H2,1-3H3/p+1