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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4C)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4C)OC)OC

InChI

InChI=1S/C28H32N2O3S/c1-5-20-10-12-22(13-11-20)33-18-25-23-17-27(32-4)26(31-3)16-21(23)14-15-30(25)28(34)29-24-9-7-6-8-19(24)2/h6-13,16-17,25H,5,14-15,18H2,1-4H3,(H,29,34)