2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[4-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)SC)C

InChI

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