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

Systemtic Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[4-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)12-13-23(19(24)14-8-10-15(26-4)11-9-14)20-21-18-16(25-3)6-5-7-17(18)27-20/h5-11H,12-13H2,1-4H3/p+1