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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2-methylsulfanylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2-methylsulfanylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2-methylsulfanylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-(methylthio)benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3OS2/c1-4-23(5-2)14-15-24(20(25)16-10-6-8-12-18(16)26-3)21-22-17-11-7-9-13-19(17)27-21/h6-13H,4-5,14-15H2,1-3H3/p+1