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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC)C

InChI

InChI=1S/C29H34N2O3S/c1-20-14-21(2)16-24(15-20)34-19-26-25-18-28(33-4)27(32-3)17-23(25)11-13-31(26)29(35)30-12-10-22-8-6-5-7-9-22/h5-9,14-18,26H,10-13,19H2,1-4H3,(H,30,35)