N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]octane-1,8-diamine

Systemtic Name: N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]octane-1,8-diamine Openeye Name: N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]octane-1,8-diamine CAS Name: N,N'-bis[3-[[4-(methylthio)phenyl]methylamino]propyl]octane-1,8-diamine IUPAC Name: N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]octane-1,8-diamine Traditional Name: [4-(methylthio)benzyl]-[3-[8-[3-[[4-(methylthio)benzyl]amino]propylamino]octylamino]propyl]amine Formula: C30H50N4S2 MolecularWeight: 530.8748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCCCNCCCCCCCCNCCCNCC2=CC=C(C=C2)SC

Isomeric SMILES

CSC1=CC=C(C=C1)CNCCCNCCCCCCCCNCCCNCC2=CC=C(C=C2)SC

InChI

InChI=1S/C30H50N4S2/c1-35-29-15-11-27(12-16-29)25-33-23-9-21-31-19-7-5-3-4-6-8-20-32-22-10-24-34-26-28-13-17-30(36-2)18-14-28/h11-18,31-34H,3-10,19-26H2,1-2H3