2-[2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[2-chloro-5-(methylthio)benzoyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-4-25(5-2)12-13-26-19-9-7-6-8-18(19)23-21(26)24-20(27)16-14-15(28-3)10-11-17(16)22/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,24,27)/p+1