2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC)C

InChI

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