1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C20H21N3O2S/c1-13(19(24)23-10-9-14-5-3-4-6-15(14)12-23)26-20-21-17-8-7-16(25-2)11-18(17)22-20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)