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

Systemtic Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[4-(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=C(C=C3)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS2/c1-15-7-12-19-20(16(15)2)23-22(28-19)25(14-6-13-24(3)4)21(26)17-8-10-18(27-5)11-9-17/h7-12H,6,13-14H2,1-5H3/p+1