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

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[4-(methylthio)benzoyl]amino]propyl]ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS2/c1-15-7-5-8-18-19(15)22-21(27-18)24(14-6-13-23(2)3)20(25)16-9-11-17(26-4)12-10-16/h5,7-12H,6,13-14H2,1-4H3/p+1