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

Systemtic Name: 3-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,7-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=C2C(=C(C=C1)C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H27N3OS2/c1-15-11-12-16(2)20-19(15)23-22(28-20)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