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

Systemtic Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-1-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H30N2O6S MolecularWeight: 546.634

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O6S/c1-18-12-29(33)38-26-15-22(8-9-23(18)26)37-17-25-24-16-28(36-4)27(35-3)13-19(24)10-11-32(25)30(39)31-20-6-5-7-21(14-20)34-2/h5-9,12-16,25H,10-11,17H2,1-4H3,(H,31,39)