2-[(3-ethylsulfanylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-ethylsulfanylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-ethylsulfanylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(ethylthio)phenyl]-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethylsulfanylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(ethylthio)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3OS2+ MolecularWeight: 404.544523

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C20H22FN3OS2/c1-4-26-16-7-5-6-14(12-16)19(25)24(11-10-23(2)3)20-22-17-9-8-15(21)13-18(17)27-20/h5-9,12-13H,4,10-11H2,1-3H3/p+1