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

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[3-(methylthio)benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25N3O2S2/c1-23(2)11-6-12-24(20(25)15-7-5-8-17(13-15)27-4)21-22-18-10-9-16(26-3)14-19(18)28-21/h5,7-10,13-14H,6,11-12H2,1-4H3/p+1