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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[[2-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[2-(methylthio)benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H23N3OS2/c1-22(2)13-8-14-23(19(24)15-9-4-6-11-17(15)25-3)20-21-16-10-5-7-12-18(16)26-20/h4-7,9-12H,8,13-14H2,1-3H3/p+1