(2S)-N,N-diethyl-2-[(S)-methylsulfanyl(phenyl)methyl]hexan-1-amine

Systemtic Name: (2S)-N,N-diethyl-2-[(S)-methylsulfanyl(phenyl)methyl]hexan-1-amine Openeye Name: (2S)-N,N-diethyl-2-[(S)-methylsulfanyl(phenyl)methyl]hexan-1-amine CAS Name: (2S)-N,N-diethyl-2-[(S)-(methylthio)-phenylmethyl]-1-hexanamine IUPAC Name: (2S)-N,N-diethyl-2-[(S)-methylsulfanyl(phenyl)methyl]hexan-1-amine Traditional Name: diethyl-[(2S)-2-[(S)-(methylthio)-phenyl-methyl]hexyl]amine Formula: C18H31NS MolecularWeight: 293.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(CC)CC)C(C1=CC=CC=C1)SC

Isomeric SMILES

CCCC[C@@H](CN(CC)CC)[C@@H](C1=CC=CC=C1)SC

InChI

InChI=1S/C18H31NS/c1-5-8-12-17(15-19(6-2)7-3)18(20-4)16-13-10-9-11-14-16/h9-11,13-14,17-18H,5-8,12,15H2,1-4H3/t17-,18+/m0/s1