(3S,4R)-2-methyl-3-(phenylmethylsulfanyl)octan-4-amine

Systemtic Name: (3S,4R)-2-methyl-3-(phenylmethylsulfanyl)octan-4-amine Openeye Name: (3S,4R)-3-benzylsulfanyl-2-methyl-octan-4-amine CAS Name: (3S,4R)-2-methyl-3-(phenylmethylthio)-4-octanamine IUPAC Name: (3S,4R)-3-benzylsulfanyl-2-methyloctan-4-amine Traditional Name: [(1R)-1-[(1S)-1-(benzylthio)-2-methyl-propyl]pentyl]amine Formula: C16H27NS MolecularWeight: 265.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)C)SCC1=CC=CC=C1)N

Isomeric SMILES

CCCC[C@H]([C@H](C(C)C)SCC1=CC=CC=C1)N

InChI

InChI=1S/C16H27NS/c1-4-5-11-15(17)16(13(2)3)18-12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12,17H2,1-3H3/t15-,16+/m1/s1