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

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[3-(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(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)SC

InChI

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