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

Systemtic Name: diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl]ammonium Formula: C21H25FN3OS2+ MolecularWeight: 418.571103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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