N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=C(C=CC=C4CC)CC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=C(C=CC=C4CC)CC)OC)OC

InChI

InChI=1S/C31H38N2O3S/c1-6-21-12-14-25(15-13-21)36-20-27-26-19-29(35-5)28(34-4)18-24(26)16-17-33(27)31(37)32-30-22(7-2)10-9-11-23(30)8-3/h9-15,18-19,27H,6-8,16-17,20H2,1-5H3,(H,32,37)