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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2OS/c22-19(21-12-11-14-5-1-2-6-15(14)13-21)10-9-18-20-16-7-3-4-8-17(16)23-18/h1-8H,9-13H2