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

Systemtic Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]propyl-dimethyl-ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C22H27N3OS2/c1-15-11-12-19-20(16(15)2)23-22(28-19)25(14-8-13-24(3)4)21(26)17-9-6-7-10-18(17)27-5/h6-7,9-12H,8,13-14H2,1-5H3/p+1