2-(4-phenoxybutyl)-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine

Systemtic Name: 2-(4-phenoxybutyl)-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine Openeye Name: 4-(2-benzylsulfanylphenyl)-2-(4-phenoxybutyl)butane-1,3-diamine CAS Name: 2-(4-phenoxybutyl)-4-[2-(phenylmethylthio)phenyl]butane-1,3-diamine IUPAC Name: 4-(2-benzylsulfanylphenyl)-2-(4-phenoxybutyl)butane-1,3-diamine Traditional Name: [2-[1-amino-2-[2-(benzylthio)phenyl]ethyl]-6-phenoxy-hexyl]amine Formula: C27H34N2OS MolecularWeight: 434.63666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2CC(C(CCCCOC3=CC=CC=C3)CN)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2CC(C(CCCCOC3=CC=CC=C3)CN)N

InChI

InChI=1S/C27H34N2OS/c28-20-24(14-9-10-18-30-25-15-5-2-6-16-25)26(29)19-23-13-7-8-17-27(23)31-21-22-11-3-1-4-12-22/h1-8,11-13,15-17,24,26H,9-10,14,18-21,28-29H2