2-[(5-chloranylthiophen-2-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(5-chlorothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(5-chloro-2-thiophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(5-chlorothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(5-chlorothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C18H20ClFN3OS2+ MolecularWeight: 412.952303

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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(S3)Cl

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClFN3OS2/c1-3-22(4-2)10-11-23(17(24)14-8-9-15(19)25-14)18-21-16-12(20)6-5-7-13(16)26-18/h5-9H,3-4,10-11H2,1-2H3/p+1