2-[(1S,2R)-1-tert-butylsulfanyl-1-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(1S,2R)-1-tert-butylsulfanyl-1-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(1R,2S)-2-tert-butylsulfanyl-1-methyl-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(1S,2R)-1-(tert-butylthio)-1-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(1S,2R)-1-tert-butylsulfanyl-1-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(1R,2S)-2-(tert-butylthio)-1-methyl-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline Formula: C22H29NS MolecularWeight: 339.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)SC(C)(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)SC(C)(C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H29NS/c1-17(23-15-14-18-10-8-9-13-20(18)16-23)21(24-22(2,3)4)19-11-6-5-7-12-19/h5-13,17,21H,14-16H2,1-4H3/t17-,21-/m1/s1