(2S,3R)-2-tert-butylsulfanyl-1-naphthalen-2-yl-heptan-3-amine

Systemtic Name: (2S,3R)-2-tert-butylsulfanyl-1-naphthalen-2-yl-heptan-3-amine Openeye Name: (2S,3R)-2-tert-butylsulfanyl-1-(2-naphthyl)heptan-3-amine CAS Name: (2S,3R)-2-(tert-butylthio)-1-(2-naphthalenyl)-3-heptanamine IUPAC Name: (2S,3R)-2-tert-butylsulfanyl-1-naphthalen-2-ylheptan-3-amine Traditional Name: [(1R)-1-[(1S)-1-(tert-butylthio)-2-(2-naphthyl)ethyl]pentyl]amine Formula: C21H31NS MolecularWeight: 329.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC2=CC=CC=C2C=C1)SC(C)(C)C)N

Isomeric SMILES

CCCC[C@H]([C@H](CC1=CC2=CC=CC=C2C=C1)SC(C)(C)C)N

InChI

InChI=1S/C21H31NS/c1-5-6-11-19(22)20(23-21(2,3)4)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,5-6,11,15,22H2,1-4H3/t19-,20+/m1/s1