1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propan-1-one Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SC(C)C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SC(C)C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-16-21(14-18-8-4-3-5-9-18)25-23(24-16)28-17(2)22(27)26-13-12-19-10-6-7-11-20(19)15-26/h3-11,17H,12-15H2,1-2H3,(H,24,25)