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

Systemtic Name: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Openeye Name: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one CAS Name: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Traditional Name: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CCN3C4=CC=CC=C4OC3=S)OC)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)CCN3C4=CC=CC=C4OC3=S)OC)OC

InChI

InChI=1S/C22H24N2O4S/c1-14-16-13-20(27-3)19(26-2)12-15(16)8-10-23(14)21(25)9-11-24-17-6-4-5-7-18(17)28-22(24)29/h4-7,12-14H,8-11H2,1-3H3