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2-[1,3-benzothiazol-2-yl(2-phenylsulfanylethanoyl)amino]ethyl-diethyl-azanium

2-[1,3-benzothiazol-2-yl(2-phenylsulfanylethanoyl)amino]ethyl-diethyl-azanium

Systemtic Name:2-[1,3-benzothiazol-2-yl(2-phenylsulfanylethanoyl)amino]ethyl-diethyl-azanium
Openeye Name:2-[1,3-benzothiazol-2-yl-(2-phenylsulfanylacetyl)amino]ethyl-diethyl-ammonium
CAS Name:2-[1,3-benzothiazol-2-yl-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-diethylammonium
IUPAC Name:2-[1,3-benzothiazol-2-yl-(2-phenylsulfanylacetyl)amino]ethyl-diethylazanium
Traditional Name:2-[1,3-benzothiazol-2-yl-[2-(phenylthio)acetyl]amino]ethyl-diethyl-ammonium
Formula: C21H26N3OS2+
MolecularWeight: 400.58064
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H25N3OS2/c1-3-23(4-2)14-15-24(20(25)16-26-17-10-6-5-7-11-17)21-22-18-12-8-9-13-19(18)27-21/h5-13H,3-4,14-16H2,1-2H3/p+1


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