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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3O2S2/c1-5-26-16-10-8-12-18-19(16)22-21(28-18)24(14-13-23(2)3)20(25)15-9-6-7-11-17(15)27-4/h6-12H,5,13-14H2,1-4H3/p+1