3-(1,3-benzothiazol-2-yl)-1-methyl-N-(4-methylsulfanylphenyl)-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(4-methylsulfanylphenyl)-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(4-methylsulfanylphenyl)-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-[4-(methylthio)phenyl]-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-N-(4-methylsulfanylphenyl)-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-[4-(methylthio)phenyl]amine Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC=C(C=C4)SC

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC=C(C=C4)SC

InChI

InChI=1S/C18H20N4OS2/c1-21-11-17(19-13-7-9-14(24-2)10-8-13)22(23,12-21)18-20-15-5-3-4-6-16(15)25-18/h3-10,17,19H,11-12H2,1-2H3