2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3SC

InChI

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