1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-ethyl-2-benzimidazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-ethylbenzimidazol-2-yl)thio]propan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3OS/c1-3-24-19-11-7-6-10-18(19)22-21(24)26-15(2)20(25)23-13-12-16-8-4-5-9-17(16)14-23/h4-11,15H,3,12-14H2,1-2H3