N-(4-butylsulfanylphenyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: N-(4-butylsulfanylphenyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: N-(4-butylsulfanylphenyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-[4-(butylthio)phenyl]-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: N-(4-butylsulfanylphenyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-[4-(butylthio)phenyl]amine Formula: C20H31N5OS2 MolecularWeight: 421.62304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

InChI

InChI=1S/C20H31N5OS2/c1-6-7-12-27-16-10-8-15(9-11-16)21-17-13-24(5)14-25(17,26)19-23-22-18(28-19)20(2,3)4/h8-11,17,21H,6-7,12-14H2,1-5H3