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

Systemtic Name: diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-[4-(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(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)SC

InChI

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