2-[[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]quinolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]quinolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]quinoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-4-quinolinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]quinoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]quinoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C23H24ClN4OS2+ MolecularWeight: 472.04586

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C23H23ClN4OS2/c1-3-28(4-2)12-11-25-22(29)17-14-21(26-18-8-6-5-7-16(17)18)31-23-27-19-13-15(24)9-10-20(19)30-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,25,29)/p+1