N-[(4-methylsulfanylphenyl)methyl]octan-2-amine

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]octan-2-amine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]octan-2-amine CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-octanamine IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]octan-2-amine Traditional Name: 1-methylheptyl-[4-(methylthio)benzyl]amine Formula: C16H27NS MolecularWeight: 265.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCC1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCCC(C)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H27NS/c1-4-5-6-7-8-14(2)17-13-15-9-11-16(18-3)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3