3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-17-11-14-9-10-23(13-15(14)12-18(17)26-2)21(24)8-7-20-22-16-5-3-4-6-19(16)27-20/h3-6,11-12H,7-10,13H2,1-2H3