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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-N-(3-propylsulfanylphenyl)imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(3-propylsulfanylphenyl)imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-[3-(propylthio)phenyl]-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(3-propylsulfanylphenyl)imidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-[3-(propylthio)phenyl]amine Formula: C20H24N4OS2 MolecularWeight: 400.56076

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C20H24N4OS2/c1-3-11-26-16-8-6-7-15(12-16)21-19-13-23(2)14-24(19,25)20-22-17-9-4-5-10-18(17)27-20/h4-10,12,19,21H,3,11,13-14H2,1-2H3