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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(4-hexylsulfanylphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(4-hexylsulfanylphenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(hexylthio)phenyl]-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(4-hexylsulfanylphenyl)-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-[4-(hexylthio)phenyl]amine Formula: C23H30N4OS2 MolecularWeight: 442.6405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCCCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C23H30N4OS2/c1-3-4-5-8-15-29-19-13-11-18(12-14-19)24-22-16-26(2)17-27(22,28)23-25-20-9-6-7-10-21(20)30-23/h6-7,9-14,22,24H,3-5,8,15-17H2,1-2H3