N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine

Systemtic Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine Openeye Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine CAS Name: N'-[2-[3,4-dimethoxy-2-(phenylthio)phenyl]ethyl]-N-phenethylhexane-1,6-diamine IUPAC Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanylphenyl)ethyl]-N-phenethylhexane-1,6-diamine Traditional Name: 2-[3,4-dimethoxy-2-(phenylthio)phenyl]ethyl-[6-(phenethylamino)hexyl]amine Formula: C30H40N2O2S MolecularWeight: 492.7158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C30H40N2O2S/c1-33-28-18-17-26(30(29(28)34-2)35-27-15-9-6-10-16-27)20-24-32-22-12-4-3-11-21-31-23-19-25-13-7-5-8-14-25/h5-10,13-18,31-32H,3-4,11-12,19-24H2,1-2H3