2-[(3-ethylsulfanylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-ethylsulfanylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-ethylsulfanylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(ethylthio)phenyl]-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethylsulfanylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(ethylthio)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3OS2+ MolecularWeight: 404.544523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

InChI

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