1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(4-chlorophenyl)sulfanyl-2-methyl-propan-1-one

Systemtic Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(4-chlorophenyl)sulfanyl-2-methyl-propan-1-one Openeye Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(4-chlorophenyl)sulfanyl-2-methyl-propan-1-one CAS Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[(4-chlorophenyl)thio]-2-methyl-1-propanone IUPAC Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(4-chlorophenyl)sulfanyl-2-methylpropan-1-one Traditional Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[(4-chlorophenyl)thio]-2-methyl-propan-1-one Formula: C19H26ClNOS MolecularWeight: 351.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC2CCCCC2C1)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[C@H]2CCCC[C@@H]2C1)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClNOS/c1-19(2,23-17-9-7-16(20)8-10-17)18(22)21-12-11-14-5-3-4-6-15(14)13-21/h7-10,14-15H,3-6,11-13H2,1-2H3/t14-,15-/m1/s1