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

Systemtic Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-[3-(methylthio)benzoyl]amino]propyl]ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC

InChI

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