(1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H30N2O5S/c1-30-21-13-17-11-12-29(27(35)28-19-9-7-6-8-10-19)25(20(17)16-22(21)31-2)18-14-23(32-3)26(34-5)24(15-18)33-4/h6-10,13-16,25H,11-12H2,1-5H3,(H,28,35)/t25-/m0/s1