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2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]ethyl-diethyl-azanium

2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]ethyl-diethyl-azanium

Systemtic Name:2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]ethyl-diethyl-azanium
Openeye Name:2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]ethyl-diethyl-ammonium
CAS Name:2-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]ethyl-diethylammonium
IUPAC Name:2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]ethyl-diethylazanium
Traditional Name:2-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]acetyl]amino]ethyl-diethyl-ammonium
Formula: C21H25FN3OS2+
MolecularWeight: 418.571103
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F


Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F


InChI

InChI=1S/C21H24FN3OS2/c1-3-24(4-2)13-14-25(21-23-18-7-5-6-8-19(18)28-21)20(26)15-27-17-11-9-16(22)10-12-17/h5-12H,3-4,13-15H2,1-2H3/p+1


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