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

Systemtic Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-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-p-phenetyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC5=C(C=C4)C(=CC(=O)O5)C)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC5=C(C=C4)C(=CC(=O)O5)C)OC)OC

InChI

InChI=1S/C31H32N2O6S/c1-5-37-22-8-6-21(7-9-22)32-31(40)33-13-12-20-15-28(35-3)29(36-4)17-25(20)26(33)18-38-23-10-11-24-19(2)14-30(34)39-27(24)16-23/h6-11,14-17,26H,5,12-13,18H2,1-4H3,(H,32,40)