2-[(4-ethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethyl-1,3-benzothiazol-2-yl)-[3-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC

InChI

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