N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-fluorophenyl)-1-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H27FN2O5S MolecularWeight: 534.598483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=S)NC5=CC(=CC=C5)F)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=S)NC5=CC(=CC=C5)F)OC)OC

InChI

InChI=1S/C29H27FN2O5S/c1-17-11-28(33)37-25-14-21(7-8-22(17)25)36-16-24-23-15-27(35-3)26(34-2)12-18(23)9-10-32(24)29(38)31-20-6-4-5-19(30)13-20/h4-8,11-15,24H,9-10,16H2,1-3H3,(H,31,38)