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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylsulfanylphenyl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylsulfanylphenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(butylthio)phenyl]-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(4-butylsulfanylphenyl)-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-(butylthio)phenyl]amine Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C21H26N4OS2/c1-3-4-13-27-17-11-9-16(10-12-17)22-20-14-24(2)15-25(20,26)21-23-18-7-5-6-8-19(18)28-21/h5-12,20,22H,3-4,13-15H2,1-2H3