N,N'-bis[6-[(2-methylsulfanylphenyl)methylamino]hexyl]octane-1,8-diamine

Systemtic Name: N,N'-bis[6-[(2-methylsulfanylphenyl)methylamino]hexyl]octane-1,8-diamine Openeye Name: N,N'-bis[6-[(2-methylsulfanylphenyl)methylamino]hexyl]octane-1,8-diamine CAS Name: N,N'-bis[6-[[2-(methylthio)phenyl]methylamino]hexyl]octane-1,8-diamine IUPAC Name: N,N'-bis[6-[(2-methylsulfanylphenyl)methylamino]hexyl]octane-1,8-diamine Traditional Name: [2-(methylthio)benzyl]-[6-[8-[6-[[2-(methylthio)benzyl]amino]hexylamino]octylamino]hexyl]amine Formula: C36H62N4S2 MolecularWeight: 615.03428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2SC

Isomeric SMILES

CSC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2SC

InChI

InChI=1S/C36H62N4S2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3