2-[[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H24ClFN3O2S+ MolecularWeight: 448.961263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFN3O2S/c1-3-27(4-2)12-11-25-21(28)14-5-8-16(9-6-14)26-22(29)20-19(23)17-10-7-15(24)13-18(17)30-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,28)(H,26,29)/p+1