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

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C21H22FN4OS+ MolecularWeight: 397.488983

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4OS/c1-3-25(4-2)12-13-26(20(27)16-10-8-15(14-23)9-11-16)21-24-19-17(22)6-5-7-18(19)28-21/h5-11H,3-4,12-13H2,1-2H3/p+1