N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC

InChI

InChI=1S/C28H32N2O6S/c1-31-19-10-11-23(32-2)21(15-19)29-28(37)30-13-12-18-14-26(34-4)27(35-5)16-20(18)22(30)17-36-25-9-7-6-8-24(25)33-3/h6-11,14-16,22H,12-13,17H2,1-5H3,(H,29,37)