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

Systemtic Name: diethyl-[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-fluoro-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]ethyl]ammonium Formula: C21H25FN3OS2+ MolecularWeight: 418.571103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H24FN3OS2/c1-4-24(5-2)12-13-25(20(26)16-8-6-7-9-18(16)27-3)21-23-17-11-10-15(22)14-19(17)28-21/h6-11,14H,4-5,12-13H2,1-3H3/p+1